AP42 Section: 7.1

Background Chapter 3

Reference: 17

Title: Henry’s Law Constants for HAPS,

Yaws, C.L.,

U. S. Environmental Protection Agency, September 30,1992.

,

I FINAL REPORT

HENRY'S LAW CONSTANTS FOR HAP'S

-------------

Carl L. Yaws, Consultant 685 Birchwood

Port Neches, Texas 77651 409-880-8787 409-727681 5

July 26, 1992

ABSTRACT

Results for Henry's law constant are presented for 109 organic chemicals in water. Tbjs represents major coverage of about 872 % (109/IZS = 872 %) for the original ItIing of the 1990 Clean Air Act HAP'S. The results encompass representative values for most of the chemical families in the original I t t of HAP'S including aldehydes, amides, nitriles, ketones, acids, chlorides, anilioes, benzenes, ethers, bromides, d i o l e f i disullides, cresols, amines, oxides, ethylene glycok and others. The results for Henry3 law constant at ambient conditions (3 C) are based on experimental (38 compounds), water solubility (22 compounds), VLE data (U compounds) and UNIFAC (36 compounds).

For water solubility, experimenlal data are available for 58 compounds. This reprwnts about 44.4 % coverage (%/El = 46.4 %) for the original listing of the 1990 Clcan Air Act HAP'S. A comparison (36 compounds) of experimental and calculated valucs using water solubility disdoscd favorable agreement for Henry's law constant at ambient conditions (25 C).

In the absence of solubility and VLE (vapor-liquid equilibrium) dah, values for compounds were estimated using UNIFAC (group contribution method). The UNIFAC method is based on group values (binary interaction and size parameters) for the molecular groups which are contained in compound. Most of the group values for UNlFAC are based on much simpler compounds than those contained in the HAP list. Also, most of the group values apply for compounds which are completely soluble in water. Many of the compounds in the HAP list contain benzene and other complex structures which are only partially soluble in water. Thus, the estimates should be considered as rough approximations.

Table of Contents

Section Page

1 . HENRY'S LAW CONSTANT ................................................................ 1

REFERENCES . HENRY'S LAW CONSTANT ..................................... 11

REFERENCES . VAPOR PRESSURE ................................................. 12

REFERENCES . WATER SOLUBILITY ................................................ 16

REFERENCES . ACTIVITY COEFFICIENT AT INFINITE DILUTION ... 19

Appendix

A . B . C .

HENRY'S LAW CONSTANT . EQUATIONS ........................................ 20

HENRY'S LAW CONSTANT . CONVERSION FACTORS ................... 24

HENRY'S LAW CONSTANT . EXPERIMENTAL VALUES ................... 25

D .

E . F .

VAPOR PRESSURE ............................................................................ 31

WATER SOLUBILITY .......................................................................... 35

ACTIVITY COEFFICIENT AT INFINITE DILUTION .............................. 43

I

'B 'i

SECTION I

HENRY'S LAW CONSTANT

ABSTRACT

Results for Henry's law constant are presented for 109 organic chemic& in water. This represents major cwerage of about 872 % (109/uS - 872 %) for the original lishg of the 1990 Clean Air A d HAP'S. The results encompass representative values for most of the chemical families io the original list of HAP'S including aldehydes, amides, nitriles, ketones, adds, chlorides, anilines, benzenes, ethers, bromides, diolefm, disdides, crcso4 amines, oxides, ethylene glycols and others. The results for Henry's law constant at ambient conditions (25 C) are based on experimental (38 compounds), water solubility (22 compounds), VLE data (U compounds) and UNIFAC (36 compounds).

HENRY'S LAW CONSTANT

Henry's law constant for a component in solution is applicable at very, very low concentrations. Since many such dilute aqueous solutions are encountered in industrial and environmental practice,Henry's law constant is especially important in environmental applications.

The results Henry's law constant for organic chemicals are given in Table 1. The tabulation is applicable l o a wide variety of organic chemicals in contact with water at ambient conditions (25 C). The wide variety of chemicals includes aldehydes, amides, nitriles, ketones. adds. chlorides, anilines, benzenes, ethers, bromides, diolefuq disulfides, cresols, amines, oxides, ethylene glycols and others.

In Table 1. values for Henry's law constant are show for EPA, CMA and the present work. The last column in the tabulation provides the basis (experimental, solubility, VLE data or UNIFAC) of the values for the present work.

Table 2 presents results of the present work in the various units used for Henry's law constant (atm/mol fraction, atm/mol/m', kPa/mol fraction and kPa/mol/m').

A comparison of experimental and calculated (using water solubility) values for Henry's law constant at ambient conditions (25 C) is shown in Figure 1. The graph indudes data for many different organic chemicals (36 compounds). The graph discloses general agreement of experimental and calculated values.

EOUATIONS

Henry's law constant for a component in water may be determined from data for vapor pressure, water solubility and activity coeflicient at infinite dilution (The derivation of the equations is provided io the Appendix). The thermodynamic equations are briefly summarized below

1

'1

H, = Y , - P , ~ ' - where y = Henry's law constant, atm/mol fraction

P,"' = vapor pressure of organic chemical, atm

x, = solubility of organic chemical in water, mol fraction

7,- = aaivity wcfIiaent at S m i t e dilution

yW = mol fraction of water in vapor phase at ambient conditions (at 25 C, yHlo - 0.03117)

DISCUSSION

Experimental values for Henry's law constant at ambient conditions (25 C) are presented for 38 of the 125 organic compounds. This represents about 30.4 % coverage (38/125 = 30.4 5%) of the original Listing of the 1990 Clean Air Act HAP'S. The tabulated values for Henry's law constant are given in the Appendix of this report. A quick inspection of the tabulation discloses that there is general agreement of values among the several investigators. Examples ofgeneral agreement include benzene, carbon tetrachloride. chloroform, dichlorobenzene (I$), ethylbenzene, ethyl chloride, ethylene dichloride, toluene and many others.

Tabulated values for vapor pressure are provided for 117 of the 125 organic compounds. Since 117/lZ5 = 93.6 %, this represents appreciable major coverage of the organic compounds contained in the original Listing of the 1990 Clean Air Act HAP'S. These tabulated values (see Appendix) provide results for vapor pressure as a function of temperature using an eldended Antoine and Antoine equations. Using the provided correlation coelrcients, the equations can be used to provide vapor pressure values at ambient (25 C) and other !em peratures.

Experimental data for water solubility at ambient conditions (25 C) are presented for 58 of the 125 organic compounds. This represents about 46.4 % coverage (58/125 = 46.4 %) of the original listing of the 1990 Clean Air Act HAP'S. The tabulated values for water solubility are given in Appendix of this report. A quick inspection of the tabulation discloses that there is general agreement of values among most of the investigators. Examples of general agreement include acrylonitrile, benzene, carbon tetrachloride, chloroform, dichlorobenzene (I&, hexane, ethylbenzene, ethylene dichloride, toluene and many others.

Results for activity coefficient at infinite dilution from VLE data (vapor-liquid equilibrium) &e presented for U compounds. Unfortunately, this number is much lower than anticipated since VLE data could not be located for many of the compounds.

In the absence of data, values for 45 compounds were estimated using UNIFAC (group contribution

' 2

'3 method). The UNIFAC method is based on group values (binary interaction and size parameters) for the molecular groups which are contained in compound. Most of the group values for W A C are based on much simpler compounds than those contained in the HAP list. Also, most of the group values apply for compounds which are completely soluble in water. Many of the compounds in the H A P List contain benzcne and other complex structures which are only partially soluble in water. Thus, the estimates should be considered as rough approximations.

The results for activity coeficicnt at X d c dilution cover 58 compounds (VLE data + estimates = 13 + 45 = 58) of the 125 organic compounds. ThL represents about 46.4 % coverage (%/Us = 46.4 %) of the original Listing of the 1990 Clean Air Act IiAF"S.Thc tabulated values for activity coefficient at X i i t c dilution are given in the Appendix of lhis report. For ME data, a quid: kpcclion of the tabulation dscloses that there is general agreement of valucs among most of& investigators.

3

/

/ H - atm/molfraction /

Figure 1 Henry’s Law Constant

4

TABLE 1 HENRY'S LAW CONSTANT

1 C2WD ACETALDEHYDE 2 C2H5W ACEIWIOE 3 C2H3N ACETWITRILE b MHBO ACETOPHENWE 5 U H L O ACROLEIN 6 CSHSNO ACRYLWIOE 7 UHLO2 ACRYLIC ACID

11 m 0 0-ANISIOINE 12 C6H6 BENZENE 13 C7HSCL3 BENZOTRICHLORIOE 14 C7H7CL BENZYL CHLORIDE 15 C12HlO BIPHENYL 16 CZHLCLZO BIS(CHLCUQIETHYL)ETHER y- 17 CHBR3 BRC+IO~ORM 1 L-.. .1.3-B!!T$l-e>

C6Hll.ON CAPROLACTM. ' ; L r

20 .CST CARBW DISULFIDE 21 CCLL CARBON TETRACHLORIDE 22 C2H3CLO2 CHLOROACETIC ACID

2L C6HSCL CHLOROBENZENE 25 CHCL3

27 Ch&l

29 C7HBO 0-CRESOL 30 C7H& P-CRESOL 31 C9H12 CLMENE 32 C6HLCL2 1.L-DICHLOROBENZENE ~,

s-CfiiiCL2 1,S-DICHLOROPROPENE'

36 C8HllN N,N-OIMETYLANILINE

c33 C8H7tLO 2-CHLCNIACETOPHENWE . L C I- 'C

c 9 3 CLH8CLZO DICHLOROETHYL ETHER

-35 CLHllNO2 DIETHANOLAMINE

e 3 7 CLHlOOLS DIETHYL SULfATE -38 ClLH2ON DIMETHYLBENZIDINE

39 t3H7NO DIMETHYL FORlUWlOE -.LO C2H8N2 1,l-DlMETHYLHYDRAZIU~ iCci ''.:/?

LL C7H6UZOL 2.4-OINITROTOLUENE ,/5 CLH002 1.4-DIOXINE - 46 C12HlZN2 1,2-0IPHENYL~YORAZINE

L7 UHSCLO EPICHLOROHYDRIN 48 C5H802 ETHYL ACRYLATE 49 C8HlO ETHYLBENZENE 50 C2H5CL ETHYL CHLORIDE .........................................................

5

5.27782 5.00560 6.51313 VLE DATA 0.07389 61.11160 0.UUUlU- WlFAC 0.00322 1.11668 1.13641 VLE DATA 0.78334 0.58889 0.50894 SOLUBILITY 3.1U7 2 . W 6 4.57110 soLUB1LITY 0.00003 0.00002 0.00001 WIFAC 0 . W 7 0.01m 4. w 9 3 5.00004

20611.27600 266.11324 0.14415 0.43334 L5.55592

305.55800 2L0.00192 121.66764 21.05575 19.16682

5611.15600 35.33362 1 1 .66676

- -. . - - - - -. -. - - - - - - -. -

S Z . L L L ~ 33.00026

933. UDBO i 066. 67520

7866.95200 142778. 92000 0.03528 0.01 500

1666.68000 12B8.89920 0 . 0 0 0 ~ . ......_

1s .333LL _._____ .- . _ _ _ . . 218.33508 252.22L24 180.33L8L 203.89052

18611.26000 161.112LO 0.02461 0.oL000 - - - - - - - O.lLLL5 0.53000 0.02461 0.04200

811.11760 MO.OW0 100.00080 240.557L8 0.72223 63.0940

129.LL548 _ _ _ _ _ _ _ 406.11L36 4.93337 4. L4448 0.00756 2L.LLL64 0.00019 _..____ 6.8889L 1380.90000 0.119L5 o.ooM16 0.03256 0. 00850 0.00001 1.283% . 0.41000

19L.44600

- . . . . . . - - -. - - - . . . . - - -

- - -. - -. - - . - - - - - - - - - - - . . . - - - - . . . - - - -

0.01107 VLE DATA 5 .La54 SOLUBI Ll T I

515.42218- SOLUBlLlTV 0.09776 SOLUBILITY' . , ' O.OO92L UNIFAC I

308.34000 EXPERIMENTAL 5L. 5 1771 W I FAC 17.72866 WIFAC 22.67000 EXPERIMENTAL 5.02021 UNlFAC

29.56000 EXPERIMENTAL 3961.17699 SOLUBILITY

0.00016 WlfAC 1064.07986 SOLUBILITY 1677.79000 EXPERIMENTAL

0.00363 WlfAC --.---- , 3-7

I.

209.45000 221.33000 51.63556

0.039L8

0.09115 0.03968

727.78000 176.11000 0.76455

197.22000

0.77013

. . . . . . -

- - - - - -. ...--__ - - - - . . . 0.01061 0.09108 0.05405

0.17227 0.30647

0.44333 5.65535

437.81000 672.23000

- - - - - -.

.--_ .__.._

,,- . EXPERIMENTAL EXPERIMENTAL UN I FAC soLUBI L I TY

SOLUBILITY SOLUBlLlTY EXPERIMENTAL EXPERIMENTAL UN I FAC EXPERIMENTAL - 9

UN I FAC 1, z/ v f r d

UNIfAC f l @ . 0 2 < -.., . .. UNIFAC EXPERIMENTAL '.. ,'-,' " EXPERIMENTAL ' I ' .

51 C2HLBR2 52 C2HLCL2

54 C2HLO 55 C2HLCL2 56 CH20 57 C4HlOO2 58 CLHlOO2 59 C8H16OL 60 C6H1205 61 C6HlL03 62 CSHlOOS 63 C8Hlao3 64 C6W403 65 C3HBo2 66 (16111202 67 CBMlOO2 68 C5H1202 69 C8H1803 70 C6HlL02 71 C8HlW 72 C8Hl503 7'3 CML6 7L CLCL6

76 C6HlL 77 C8H602 78 CQHlLO

80 C H M

53 ~ 2 ~ 6 0 2

n C ~ C L ~ - a4 CLH8O 85 CH6N2

& :E:

e:: :::::f202

88 C5K802 89 CSH120

92 C13HlLN2 93 ClOH8 QL C6HSN02 PS C6HSN03 W C3H7U02 97 C6H60 98 C6H8N2 99 CWL2 100 C8L03

ETHYLENE DIBRQIIDE ETHYLENE OICHLCUIOE ETHYLENE GLYCOL ElHYLENE OXIDE EIHYLIOENE OICHLCUIOE fDPULDEHYDE . .. .. ETHYLENE GLYCOL DIMETHYL ETHER

DIETHYLENE GLYCOL W O E T H Y L ETHER ACETATE ETHYLENE GLYCOL W O E T H Y L ETHER ACETATE DIETHYLENE GLYCOL W O E T H Y L ETHER ETHYLENE GLYCOL MYCUETHYL ETHER ACETATE.

ETHYLENE GLYCOL IYWOETHYL ETHER

OIETHYLENE GLYCOL MNDBUTYL ETHER DIETHYLENE GLYCOL DIMETHYL ETHER ETHYLENE GLYCOL IYWQIEIHYL ETHER ETHYLENE GLYCOL W W R O P Y L ETHER ETHYLENE GLYCOL W W H E N Y L ETHER. DIETHYLENE GLYCOL MWCUETHYL ETHER DIETHYLENE GLYCOL DIETHYL ETHER ETHYLENE GLYCOL MONOBUTYL ETHER TRIETHYLENE GLYCOL DIMETHYL ETHER ETHYLENE GLYCOL MONOBUTIL ETHER ACETAlE' HEXACHLWOBEWZENE HEXACHLOROBUTADIENE HEXACHLOROETHANE HEXANE HYOROOUINONE ISOPHORONE a METHAUOL METHYL & W O E 7 METHYL -CHLORIDE METHYL CHLOROFWM METHYL ETMYL KETONE METHYL HYDRAZINE MfTHYL ISOBUTYL KETONE METHYL ISOCYANATE METHYL METHACRYLATE METHYL TERT-BUTYL ETHER METHYLENE CHLORIDE METHYLENE OIPHENYL DllSDCYANATE 4.4-METHYLENEOIANILINE NAPHTHALENE NITRDBENZENE 4-NITROPHENOL 2-YITRWRWAUE DYEYOL . . .- .. . . P-PHENYLENEOIAMINE PHOSGENE PHTHALIC ANHYORIOE

nnry'n tau CmtMt. H a 25 c (atm/ml fraction)

EPA ou PRESENT SASlS ',

_---_._..____..__.__.._______._._______...-.-.--.- . ' C I' ..__..._.._ .-___...._. ___..______ ..._.......

36.11000 EXPERIMENTAL &.uno - - - - - -. 65.38000 EXPERIMENTAL 38.3336L __.._.. 0.00572 0.00012 0.00011 VLE DATA 7.aaa95 4.35003 13.22808 VLE DATA

3.20003 0.01872 7.67602 WlFAC 0.86112 2.10557 1.9L713 VLE DATA 0.06167 O.OS9LL 0.01797 VLE DATA 0.01061 0.06056 0.03584 UYlFAC 0.08270 0.45167 0.09862 S O L U B I L I T I 0.00188 0.00260 0.00269 W1FA.C 0.10833 0.339L5 0.12187 UNIFAC 0.00183 0.00203 0.00125 UNIFAC 0.00138 0.17167 LO8575-Wl 0.03833 0.01583 EXP 0.15222 0 .OB1 1 1 O.OL7L2 UNlFAC 0.0027L 0.00131 0.056OL SOLUBILITY 0.00126 0.0029L 0.00226 UNlFAC 1.18334 0.19667 0.11892 UNIFAC 0.OLL11 0.05539 0.02263 VLE DATA 0.0239L O.OOL98 ' 0.00260 WIFAC 0.00058 0.U500 0.762L5 SOLUBILITY

37.77808 71.11168 0L.91337 SOLUBILITY 1433.3U.80 1277.78800 572.UOOO EXPERIMENTAL

6777.83200 - -. - - -. , .L2~~7.01000~ ~FXPERl)lENTAL 8722.29200 - - - - -. . 0.00002 UNIFAC @V/O- '

0.32000 0.32000 2.19764 UNIFAC ,

0.00222 . -. . - - - 0.01217 UNIFAC ' hy=!.- ' ' ' = J

0.00150 0.35648 VLE DATA

312.23000 EXPERIMEYTAL 307.78024 - - - - - -

0.13778 711.11680 L63.89000 EXPERIMENTAL-_.

12277.87600 381.06093 SOLUBI L I T Y L52.2258L 49&0-- EXPERIMENTAL 166.66800 --...-- 966.67000 EXPERlMENlAL 2.L1669 3.18891 7.22000 EXPER IMENTAL 0.19111 2.75002 7.61 117 21 A7000 EXPERIMENTAL 1 . 2 M

0.02480 UNIFAC . . - - -. - . . - - - - - . . . . . - -

3.66670 17.m92 278.33556 27.00022 177.22.W 113.3Y2L 297.22L60 0.15556

65.55608 26.22213 0.72TII) 1.31668

- - - - - -. ._.____

0.03939 0.00181 -.-____ 67 2 2 2 ~ 0.02522 0.0259L

4.722a4 50.86013 164.L5000 . -. - . . . _.-.--- 26.83000 1.53000 ___---. 6.6112L -. - . . - . 0.72200 0.00007 1100-'2. . 0.0078L

UYIFAC SOLUBILITY EXPERIMENTAL

. QZ6 EXPERIMENTAL EXPERIMENTAL

t0LUBl L I11 EXPERIMENTAL U N l F A

U N l r A C

.0667

NY5. 3 I,, Z C J

I

6

TABLE 1 (CONTINUED)

............................................................................................................ Henry's Liu C a m t a n t , H a 25 C citm/mol f r i c t i o n ) ..._.--...____._.________._...___.______.-..---..~

) YO FOlllULA NAME EPA CIU PRESENT BAS IS . :, "

101 UHLO2 BETA-PROPIOLACTWE 0.05122 ___._.. 102 UH60 PROPIWALOEHYOE 56389.34000 6.38894 3.32252 SOLUBILITY > . o 103 ClH6CLZ PROPYLENE OICHLOPIOE 127.TIs80 150.00120 158.71000 EXPERIMENTAL 104 un60 PROPILEYE OXIDE 74.44504 20.00016 19.77430 VLE DATA

lo6 a n 8 STYRENE 183.33480 166.11228 144.71670 SOLLISILITY 107 C2HZCL4 1,1.2.2-TETRICHLOsOETHANE 21.11 128 - - - - -. . 13.89000 EXPERIMENTAL 108 C2CL4 TETRACHLOPOETHYLENE 1594.45720 V83.34120 983.34000 EXPERIMXNTAL lo9 C7H8 TOLUENE 581.11416 255.55760 356.67000 EXPERI*ENlAL 110 CMlON2 2.4-TOLUENE DIAMINE 0.33500 _ _ _ _ _ _ _ 0.00007 UNIFAC 111 C9H6N202 2.4-TOLUENE DIISOCYANATE 0.46111

0.10457 U Y l f A C 0112 C7WN 0-TOLUIDINE 1.061 12 113 C6H3CL3 1.2,4-1RlCHLWOBENZENE 78.88952 160.00128 106.67000 EXPERIMENTAL 114 C2H3CL3 1,1,2-TRICHLCROETHANE 41.1114L - . . . . - - L5.77000 EXPERIMENTAL 115 C2HCL3 TRICHLROETHYLENE 505.55960 532.22648 566.67000 EXPERIMENTAL

117 C6H15N TRIETHYLAMINE 1 L7.77896 8.11118 6.9L285 SOLUBILITY 118 C8H18 2.2.4-TRIMETHYLPENTINE 133.88996 175001.40000 185452.P2157 SOLUBI L I T I 119 C4HM2 VINYL ACETATE 34.LLLR 26.88910 28.21141 SOLUBILITY 120 CZH3CL VINYL CHLORIDE 4722.26000 4661 . 1 LE40 1 L72.23000 EXPERIMENTAL 121 C2H2CL2 VINYLIDENE CilLORIOE 833.34000 1450.01160 1438.90000 EXPERIYENTAL

123 C8HlO M-XYLENE 292 .?E012 410.00328 41s .34000 EXPERIMENTAL 124 C8HlO 0-XYLENE 292.78012 290.00232 270.56000 EXPERIMENTAL

-.- ------.-- -----.--.-------....__...____.___.__.__ _...-.-.._. ___.____... _----___.._ __...____.. r 0.00638 UNlfAC

,o s B --_--.- - 105 C6HLO2 WINWE 400.00320 0.04TII)

_ _ _ _ _ _ _ . - - - - - - - - - - -.

"I16-CMI3CkM- 2.4.5-TRICHCOROPHENO~ 0.98334 1 .loo01 0.03520 UYIFAC + ., 4 - S P - M " 2

125 C8HlO P-XYLENE 292.78012 370.00296 413.34000 EXPERIMENTAL

. Estinmted valuer for c o e f f i c i e n t s in vapor pressure quetion. ________________________________________----.-----.-----~~...~~.~~~.~-~-.------~-----.--~----.~--.-.-.--~---

7

7 UHL02 8 CSHSN 9 U H S C L

10 C6H7y 11 C7H9NO 12 C6H6 13 C7HSCLS 14 C7H7CL 15 C l Z H l O 16 C2MLCL20 17 CHBR3 18 CLM6 19 C6HllON 20 cs2 21 CCL4 22 C2HSCLO2 23 C8H7CLO 24 C6HSCL 25 CHCLS 26 CLHSCL 27 C7HW 28 29 C7HW 30 c7nso 31 C9H12

33 CLH8CL20 34 CSHLCL2 55 CLHllNO2 36 C8HllN 37 CLHlODLS 38 C14H20N 39 C3H7NO LO C2H8N2 41 ClOHlmL L2 C2H6S04 43 C6HJN20b U t7H6Y2OL L5 C4Hso2 L6 C12Hl2N2 47 C3H5CLO L8 CSH8o2 49 C8HlO 50 C2HSCL

ACETALDEHYDE ACETMIDE ACETWITRILE ACETOPHENONE ACROLEIN ACRYLUIIDE ACRYLIC ACID ACRYLOYITRILE ALLYL C H L D ~ I D E AN I L INE 0-ANISIDINE BENZENE BENZOTRICHLORIOE BENZYL CHLORIDE BIPHENYL BIS(CHLWOIETHYL)ETHER BROIOFORM 1.S-BUTbDlENE CAPROLACTAM CARBON DISULFIDE CARBW TETRACHLORIDE CHLOROACETIC ACID 2-CHLWMCETOPHENONE CHLOROBENZENE CnLOROrORM CHLOROPRENE M-CRESOL CRESOLS/CRESYLIC ACIDCISOIERS g MIXTURES) 0-CRESOL P-CRESOL CIMENE

Y,N-DIMETYLANILINE DIETHYL SULFATE DIMETHYLBENZIDINE DIMETHYL FORMAMIDE l.l-OIMETHYLHYDRA21NE DIMETHYL PHTHALATE DIMETHYL SULFATE 2.4-DINITROPHENOL 2.L-DIYITROTOLUENE 1,4-DIOXANE 1.2-DIPHENYLHYDRAZINE EPICHLoI(0HYDRlN ETHYL ACRYLATE ETHYLBENZENE ETHYL CWLORIOE

....-...-.. ______..__. 6.51313 1.lRE-04 0.00010 1.MOE-W 1.136b1 2.046E-05 0.50894 9.16lE-W L.57118 8.228E-05 O.OOOD1 1.MOE-10 0.01107 1.993E-07 5.U8SL 9.807E-05

515.42218 9.278E-03 0.09776 1.76OE-06 0.00924 1.66SE-07

308.34000 5.550E-03 SL.51771 9.81SE-04 17.72868 3.lQlE-04 22.67000 4.081E-04

5.02021 9.036E-05 29.56000 5.32lE-04

5961.17699 7.130E-02 0.00016 2.880E-09

1064.07986 1.91SE-02 1677. 79000 3.020E ~ 02

0.00363 6.5YE-08 _____._ _.__.____ 209. 45000 3.77OE-03 221.33000 5.964E-03 51.63556 9.294E-04 0.03968 7.106E-07

0.09115 1.651E-06 0.03968 7.142E-07

727.78000 1.310E-02 176.1 1000 3.17OE -03

0.76L35 1.376E-05 197.22000 3.550E-03

0.7701s 1 . w - 0 5

.._..._ _ _ _ _ - _ _ _ _

_-_.__. _._______ ._._-.. _...__-_. ______. ..____._.

0.01061 1.9lOE-07 0.09108 1.639E-06 0 . 0 ~ ~ 8 s P.BTJE-O~ -__.._. _._______ _____.. ..____.__ 0.17227 3.101E-06 0.506b7 5.516E-06 __..... _._...___

L37.81000 7.88lE-03 i 672.23000 1.2lOE-02

65P.QLS 0.010

115.147 51.568

463.175 0.001 1.122

52225.152 9.906 0.936

31262.550 5524.007 1796.359 2297.058

2WS.167 401366.259

0.016 10781 7.892 170002.072

0.368

21222.521 22L26.262 5251.97s

4.000

9.236 4.021

17644.346

19985.317

552.0n

5 0 8 . 6 ~ ~

..-.-

._-..

~ ~ 7 4 2 . ~ 0 8

n.u

s n . 0 2 ~ U361.098 68113.705

l.lBBE+Ol 1.824E-04 2. OTJEIOO 9.282E-01 8.337E.00 1.824E-05 2.OlQE-02 9.937E*OO 9.4OOE42 1.78SE-01 (.USE-02

9.943E*Ol

L.l35E*01

5.624E*O2

3.233E+01

9.156E+OO 5.391E*01 7.225E103 2.918E-04 1 .QLlE+OS 3.060E43 6.621E-03

3.82OE*O2 -. . - - - - -. 4.037E*02 9.L17Et01 7.201E-02

1.662E-01 7.237E-02

3.212E*02

. . - -. . - - .

1 .327E+03

1.394E+OO 3.597E102 - -. - - - - - - 1 .L05E+00 _._ ___.__ --.-_..._ 1.935E-'02 1.66lE-01 1.000E-01

8.086E-01 1.031E*O1 7.985E42 1.226E.03

TABLE 2 (CONTINUED)

............................................................................................................ ~ r n r y ' i LIY cmstmt, H a 25 c ..................................................

NO fORWLA NAME atWuml tra afmJwL/m7 tPa /ml tra kPalwl/m^3 ............................................................................................... 51 C2HLER2 52 C2HLCL2 53 C2HM2 5L C2HLO 55 C2HLCL2 56 CH20 57 CLHlOO2 58 CLHlDO2 59 cBHl6oL 60 c6H1203 61 C6H1403 62 CSH1003 63 CBH1803 6L C6HlL03

66 C6H1202 67 C8HlOO2 68 C5Hl202 69 C8H1803 70 C6HlL02 71 C8H lW 72 CBH1503 7'3 C6CL6 7L CLCL6 75 C2CL6 76 C6HlL T? C8H602 78 C9H14O 79 CLH203 80 CH4O 81 CH3BP

' 65 C3H802

....... 82 CH3CL 83 C2H3CL3 84 CLHsO 85 CH6N2 86 C6H120

.87 C2H3NO -88 csneQ2 89 CSHl2O 90 CH2CL2 91 ClSHlON202 92 C13HlLN2 93 C10H8 94 C6HSN02 95 C6HSN03 96 C3H7N02 97 C 6 H M 98 C6H8N2 w COCL2

100 C8HL03

ETHYLENE DlBROllDE ETHYLENE DICHLORIDE ETHYLEYE GLYCOL ETHYLENE OXIDE ETHYLIDENE DICHLORIDE 312.23000 FORMALDEHYDE 7.67602 ETHYLENE GLYCOL DIMETHYL ETHER 1.VL713 ETHYLENE GLYCOL *OWOETHYL ETHER 0.W797 DIETHYLENE GLYCOL W D E T H Y L ETHER ACETATE 0.03584 ETHYLENE GLYCOL KYlOETHYL ETHER ACETATE 0.09862 DIETHYLENE GLYCOL KWOETHYL ETHER 0.00268 ETHYLENE GLYCOL WCUETHYL ETHER ACETATE* 0.12187 DIETHYLENE GLYCOL *OYOEUlYL ETHER 0.001 25 DIETHYLENE GLYCOL DIMETHYL ETHER 0.08575 ETHYLENE GLYCOL MNCUETHYL ETHER 1716.68000 ElHYLENE GLYCOL K)NOPROPYL ETHER O.OL7L2 ETHYLENE GLYCOL MWWHENYL ETHER* 0.056OL DIETHYLENE GLYCOL MONCUETHYL ETHER 0.00226 DIETHYLENE GLYCOL DIETHYL ETHER 0.1 1892 ETHYLENE GLYCOL MDUOEUTYL ETHER 0.02263 TRIETHYLENE GLYCOL DIMETHYL ETHER 0.0026L7 ETHYLENE GLYCOL MONOBUTYL ETHER ACETATE. 0.762L5 HEXACHLOROBENZENE 8L.9L337 HEXACHLOROBUTbB I EYE 572.23000 HEXACHLOROETHANE L63.89000 HEXANE L2667.01000 HYDRWUINONE 0.00002 ISOPHORONE 2.19761 MALEIC ANHYDRIDE 0.01217 METHANOL 0.35618 METHYL ERCUlDE 381.06093 METHYL CHLORIDE LO.. ..... METHYL CHLOROfORM METHYL ETHYL KETWE METHYL HYDRAZINE METHYL ISOBUTYL KETWE METHYL lSOCYANATE METHYL METHACRYLATE METHYL TERT-BUTYL ETHER METHYLENE CHLORIDE METHYLENE DIPHENYL D l l S O C Y A N A l E 1.1-METHYLENEOIANILINE NAPHTHALENE NITROBENZENE L-NITROPIIENOL 2-NITROPROPANE PHENOL . ~~

P-PHENYLENEDIMINE PHOSGENE PHTHALIC ANHYDRIDE

s6.11000 65.3EOOO

0.00011 13.22808

.. 966.67000

7.22000 0.02480

21.67000

26.83000 1.33000 ....... 6.61126 0.,72200 0.00007

0.00784 .......

6.500E.W (.(TIE-03 1.980E-09 2.38lE-01 5.620E - 03 1.382E-(U 3.505E-05 8.635E-07 6.L5lE-07 1.RSE-06 L.82LE-08 2.19LE-W 2.250E - 08 1.507E-06 3. WOE -02 8.536E- 07 1.009E-06 c . m - 0 8 2.14lE-06 L.073E-07 L.680E-08 1.372E-05 1.52%-OS 1.030E-02 8.3501-03 7.680E-01 3.600E-10 3.956E-05 2.191E-07 6.L17E-06 6.859E ~ OS 8.82OE-03 1.7LOE-02 1.300E-W L.L6LE-07 S.9OlE-DL

5.551E-01 2.960E-03 - - - - -. - - - ......... L.829E-W 2.39LE-05 ......... 1. 19OE-04 1 .3OOE-05 1.260E-09

1.LllE-07 . . - - -. - - -

3658.846 6621.628

0.011 1U0.335

31636.705

197.293 4.861 3.631 9.w3 0.272

12.Y8 0.127 8.L86

L.805 5.678 0.229

12.050 2.293 0.263

77.255 8606.887

57981.205 L7003.656

L3232Y.7Lu) 0.002

222.676 1.233

36.120 38610.999 L96L9.250 97947.838

2.513 218.713

m.m

i n 9 ~ 2 . 6 0 1

n i . 5 6 7

..... 478.542

312L.907 16662.896 _ _ _ _ _ ._.__ 2718.550

134.762

669.8%

0.007

0.79L

..... n.w _..__

2.006E-01 2.Ll3E101 5.69%+02 1 .LODE41 3.551E+00 8.7L9E - 02 6.537E-02 1.799E-01 L.888E-03 2.223E-01 2.28OE-03 1.527E-01

8.6L9E-02 1.022E-01 L .122E-03 2.169E-01 4.127E - 02 L .7L2E ~ 03 1.391E*00 1.5L9E42 l.OL4E.03

3.131E.03

8.L61E.02 7.782EaL 3.6L8E. OS L.O08E*OO 2.22OE-02 6.5021-01 6.9SOE+02 8.937E102 1.763E+03 1.317E41 L.523E-02 3.952E41

8.61LE+00 5.625E41 2.999E102

.........

- - - - - - - -. ~ - - . - . ~ - ~

L .893E+Ol 2.L26E+OO

1.206E41 1.317E*OO 1.277E-OL

1.L3OE-02

.........

.........

9

TABLE 2 (CONTINUED)

101 OH102 BETA-PRWIOLACTWE 102 U H M PRWIOYALDEHYDE 103 CSH6CL2 PRWYLENE OICHLmIOE 104 U H M PROPYLENE OXIDE 105 C6HL02 WINWE

0 . o m 3.32252

158.71000 i 9.77430

106 a n 8 STYRENE 14.71 670 107 C2H2CL4 1,1,2,2-TETRACHL~OETHANE 13.89000 108 CZCLL TETRACHLOROETHYLENE PKi.YOO0 109 C7H8 TOLUENE 356,67000 110 C7HlON2 2.1-TOLUENE DIAMINE 0.00007 111 C9H6N202 2,L.TOLUENE DIISOCYANATE .-...._ 112 C7H9N 0-TOLUIDINE 0.10157 113 C6H3CL3 1.2.L-IRICHLOROgEN2ENE 106.67000 114 C2HSCL3 1,1.2-TRICHLORMTHANE 15.77OOO 115 C2HCLS TRICHLROETHYLENE 566.67000 116 C6H3CLM 2.4,S-TRICHLORWHENOL 0.03520 117 C6Hl5Y TRIETHYLAMINE 6.91285 118 C8Hl8 2.2.1-TRl~ETHYLPENTANE 185452.92157 119 CLHM2 V I N Y L ACETATE 28.21111 120 C20CL VINYL CHLORIDE 1472.23000 121 UH2CL2 VINYLIDENE CHLOUIOE 1438.90000

XYLENES (ISCMERS L MIXTURES) ....-.. 122 125 CBHlO Y-XYLENE 113.YOOO 124 C B H l O 0-XYLENE 270.56000 125 C8HlO P-XYLENE 413.31000

- Estimated valuer f o r c o e f f i c i e n t s in vapor pressure equation. mal f r a - mol f r a c t i o n

10

I . I u s - 0 7 . . . .- -. 5.VME-05 2.857E-03 3.559E-04 - - - - - - - - - 2 . W E - 03 2.500E-04 1.TIOE-02 6.12OE-03 1.260E-09

1.882E-06 1.92OE-03 8.239E - 01 1 .02OE-02 6.336E-07 1.2SOE-04 3.338E*OO 5.078E-04 2.650E-02 2.590E- 02

7. U O E - 03 4.870E - 03 7.UOE-03

. . . . . . . . .

..._____ ~

.__._._.___.

0.&6 336.651

16081.291 2003.631

14643.120 1407.104

99636.926 36139.588

0.007

10.596 10808.338 4637.645

57117.838 3.567

703.4% 18791017.280

2858.521 119173.705 1457W.543

41881.675 27114.192 11881.675

_ _ _ _ _

____.

_ _ _ _ _ ._.__.....--_..

1. 164E-02 6.060E*00 2.895E.02 J.M7E*01

1.793E.03 6.505E*02 1.277E-01

1.907~-01 1.915E+O2 O.YBE*Ol l.OYE*OS 6. 42OE-02 1 .ZME*Ol 3.382E*OS 5.145E41 2.685E43 2.624E*03

7.539E+02 4.935E42 7.539E.02

.... - ._..

-.._- ....

, - - - - - - . . - -.

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APPENDIX A

HENRYS LAW CONSTANT - EQUATIONS

The calculation of Henry's law constant for a component in water may bc achieved using data for solubility, vapor pressure and aaivity weficient at idmite dilution. Derivation of the equations is briefly given in the following discussion.

DS (PARTIAL SOLUBILITY)

For organic chemicals which are Liquids at ambient conditions and have partial solubility in water, there are three phases when the organic chemical is in contact with water. These are vapor, organic and water phases. Such a three phase system consisting of vapor, liquid I and Liquid I1 is shown in Fs. A-la. At equilibrium, the fugacity of the component in each Liquid phase is given by.

flW I = f,W 11 (A-1)

For the organic phase (liquid I). the fugacity of the component is: y, mol fraction, vapor pressure, (where y, is the adivity coeficient). Since the organic phase has only very small conccnlralion of water (ppm level or less), the mol fraction of the organic chemical is approximately equal lo 1 (mol fraction,-1). This is a h true for the activity coefficient of the organic chemical (y,-l). Thug

f,hl = P,I*T ( A 4

For the water phase (liquid I]), the fugacity of the component is given by Henry's law which is applicable at very small concentration:

f,h" = H, q W I I ( % < < I ) (A-3)

Substitution of equations (A-2) and (A-3) inlo equation (A-I) yields:

p,ur H q W I I (A-4)

Solving for Henry's law constant yields the following equation which is applicable to organic chemicals which are liquids at ambient conditions (25 C, 1 atm) and have only small partial solubility in water:

where H, = Henry's law constant, alm/mol fraction

54'' = solubility of organic chemical in water, mol fraction

P,I*' = vapor pressure of organic chemical, atm

LlOUlDS fTOTAL SOLUBILITY) .

2 0

For organic chemicals which are liquids at ambient conditions and havc total solubility in water, there are two phases when the organic chemical is in contact with water. These are vapor and liquid phases. Fii. A-lb shows such a two phase system.

For the liquid phase, the fugacity of the organic chemical is: y , mol fraaioq vapor pressure, (where I, is the activity coeficient). Since the liquid phase has only very small concentration of organic chemical (ppm level or less) in the region where Henry's law is applicable, the activity wcffiacnt is the activity u ~ f i c i c n t at iafnitc dilution (y,-y4-). Thus

f,"g = y,- % P,WT ( A 4

For the liquid phase, the fugacity of the component is given by Henry's law which is applicable at very small concentration:

Substitution of equation (Ad) into equation (A-7) yields:

Y,- 7 pnr*' = H, 7 (A-8)

Solving for Henry's law constant yields the following equation which is applicable to organic chemicals which are liquids at ambient conditions (25 C, 1 atm) and havc total solubility io water:

H, = y , -Ppr (A-9)

where H, = Henry's law constant, atm/mol fraction

y,- = activity coefficient at infinite dilution

P,r*T = vapor pressure of organic chemical. atm

For organic chemicals which are gases at ambient conditions, there are two phases when the organic chemical is in contact with water. These are vapor and liquid phases. Such a two phase system consisting of vapor and liquid is shown in Fig. A-lb. At equilibrium, the fugacity of the component io each phase is given by

I,- = f," (A-IO)

For the vapor phase. the fugacity of the organic chemical iS:

fb- = Y, p,

Substitution of y, = I-y, and P, = 1 atm into the equation provides:

f;' = l-y"m

(A-11)

(A-12)

21

For the liquid phase, the fugacity of the component is given by Henry's law which is applicable at very small concentration:

f,4 = H, T (x,<

Substitution of equations (A-12) and (A-U) into equation (A-10) yields:

1 - y ~ H, 5 (A-14)

Solving for Henry's law constant yields the following quation which is applicable to organic chemicals which are gases at ambient conditions (25 C, 1 am):

H, = (I-YHD)/x, ( A - q

where H, = Henry's law constant, atm/mol fraaion

x, = solubility of organic chemical in water, mol fraction

yHlo = mol fraction of water in vapor phase at ambient conditions (at 25 C, yHao - 0.03117)

2 2

........................... ........................... ................................ ...................................................... ........................... - fi vap - fi - - liq I

Fig.A-1 a Three phase system

vapor vap liq

fi = fi

Fig. A-lb Two phase system

fi liq II

23

APPENDIX B

CONVERSION FACTORS FOR HENRY’S LAW CONSTANT

The UNIS for Henry‘s law constant which is applicable at very, very low concentration involve pressure and concentration. Sinu there are several ways to express pressure and concentration, it is often necessary to convert values for Henry‘s law constant. The following factors are helpful in the conversions:

To wnvert from H in atm/mol fraction to:

H in atm/(mol/m’). divide by 55356

H in mm Hg/mol fradion, multiply by 760

H in psia/mol fraction, multiply by 14.7

H in kPa/mol fraction, multiply by 101325

H in kPa/(mol/m’), mullipy by lOl325/55,556

2 4

APPENDIX C

HENRY'S LAW CONSTANT - EXPERIMENTAL VALUES

1816.68 ~ ~ I O U , 2.. HEhRV'S LAY COhSTAUT Of VO.AlILL WGAhIC COIPWhDS, I S thesis, Lamar univ., f1990).

1688.90 Gossett, J. M., Envircn. Sci . Tschnol., a, 202 (1987).

2 5

616.67 Gossett, J. M., Environ. Sci. Technol., a, 202 11987).

2 6

36.11 Ashuorth, R. 1.. G. U. Hwe, M. E. Mu l l ins ud 1. E. Rogers, J. of Hazardour Mater ia ls . 1p. 25 (1988). .............................................................................................................

Hazardarn Materiale,- a, 25 (1988).

L90.00 Gorsett, J. M., Environ. Ssi . Technoi., a, 202 (1987).

2 7

964.67 Zhou. 2.. J lEhRY'S LAW CONSTANT 0: VOLATILE WEbhlC CDIPQII IDS, MS thesis. t m r unir.. (1990).

955.56 Gossett, J. M., Env i rm. S c i . Technol., a, 202 11987).

86 C6H120 METHYL ISOBUTYL KETONE 21.67 Se I ect ed

121.67 Gossett, J . M.. Env i rm. Sci. Techml., a. 202 (1987).

20

983.34 GOBSett, J. M.. Emirm. Sci. Tuhml . , z, 202 (1987).

29

546.69 Yarner, H. P., J. C. [ohm end J. C. Ireland, EPA/600/0-87/229. US €PA, C i r c i m t i , OH (1987).

120 C2H3CL VINYL CHLMIDE 1472.23 Selected .................................................................................................... 1472.23 Ashnorth, R . A., G. Y. Moue, M. E. Mutiins

ard 1. E . Rogers, J. of Hazerdous Materials, (s, 25 (1988).

Gosaett, J. M., Envirm. Sci. Technol., a, 202 (1987).

.................................................................................................... 15LL.U

1 2 ~ c8nio 0-XYLENE 270.56 se I ect ed

30

APPENDIX D

TABLE D-1 VAPOR PRESSURE - EXTENDED ANTOINE EQUATION

YO FORWLA

1 C2HLO 2 C2H5W 3 C2H3Y 4 C8H80 5 OHLO 6 C3HSNO 7 OH102 8 C3HSN 9 CSHSCL

10 C6H7y 11 C7H9NO 12 C6H6 13 C7H5CLS 1L C7H7CL 15 C12HlO 16 C2HLCL20 17 CHBR3 18 CLH6 19 C6HllON 20 cs2 21 CCLL 22 C2HSCLO2 23 CBH7CLO 21 C6H5CL 25 CHCLS 26 CLHSCL 27 C7HBO 28 29 C7H80 30 C7H80 31 C9H12 32 C6HLCL2 33 CLHBCL20 3L C3H4CL2 35 CLHllNO2 36 c8nilN 37 CLHlOOLS 38 ClLH20N 39 C3H7N LO C2H8N2 L1 ClOHlWL L2 C2H6SOL 13 C6H3N2OL LL C7H6N204 LS CLHSO2 L6 C12H12N2 (7 CSH5CLO L8 C5H802 49 C8H10 50 C2HSCL

-.- ____...__ ACETALDEHYDE ACETAMIDE ACETOY I T R I LE ACETOPHENWE ACROLEIN ACRYLAMIOE ACRYLIC ACID ACRYLONITRILE ALLYL CHLORIDE ANIL INE

201.1772 127.58R 53.LO92

127.9772

-8.L786E*O3 -S.lSL8E*Ol L.bSlLE-02 -1.1961E*OL - l . W E * O l 1.1880E-05 -5.3856E*03 -5.L95LE*00 5.56YE-06 -1.0385E*(Y - l . R & E * O l 1.477%-02

133.50R -7.1227E.03 -l.W38E*Ol 2.6cL7E-02 39.lLl2 -1 .O231E+OL - 1.7139E.00 --.- 53.0W2 -7.2180E*03 -4.88lSE40 l.OWE.03 82.7112 -6.3927E4 - l . O l O l E * O l 1.0891E-05 38.1982 -L.S08LE+03 -3.1322E*00 1.1171E-17

286.5872 -1.6504E*OL -4.2765E+Ol 3.WlBE-02

1 150.15 461.00 2 351.15 49L.30 2 229.32 5L5.50 1 2v2.w 701.00 1 185.L5 506.00

1 286.65 615.00 2 186.65 535.00 6 138.65 5lL.15 1 267.13 6W.00

- 357.65 ~65.75

BENZENE BENZOTRICHLORIDE BENZYL CHLORIDE B1 PHENYL BIS(CHLORCUETHYL)ETHER B R W F O R M 1.3-BUTADIENE CAPROLACTAM CARBON DISULFIDE CARBON TETRACHLORIDE CHLOROACETIC ACID 2-CHLORMCETWHENONE CHLOROBENZENE CHLOROFORM CHLOROPRENE M.CRESOL CRESOLSKRESYLIC ACID( IED(ERS L MIXTURES) 0-CRESOL P-CRESOL CUnENE 1.4-DICHLOROBENZENE DIC~LOROETWYL ETHER 1,s-D I CHLOROPRWENE. DlETHANOLAMlNE N,N-DIMETYLANILINE DIETHYL SULFATE DIMETHYLBENZIDINE DIMETHYL F O R W I D E l . l -D lMETHYLHYDRA2 lNE DIMETHYL PHTHALATE 66.1802 -l .OSYE*OL -6.L298E*00 1.0804E-18 6 2R.15 766.00 DIMETHYL SULFATE 78.1512 -8.8719E*03 -8.592lE40 1.89LlE-06 2 2L1.35 758.00 2.L-DINITROPHENOL _... _.__ .--. ___. - _ _ _ .__

-6.2755E*03 ~ 7.41 POE43 .7.1698E43 -1.2321EiOL -6.398LE43 -6.7653E.03

-5 .9LOBE+03 -7.4746€*03 -L.7595E*03 -1.6060E104

6.2600E-06 1.7396E- 18 1.3858E-18

-B.L44SE*00 -L .6513E+OD -L.4836E*00 -1.4955E+01 5.6056E-W -5.49RE100 8.20541-18 -5.051 LEI00 2.9653E- 18 -8.2922E*OO 1.1820E-05 -6.89LLE*00 1.2113E-18 -6.77VLE40 8.0195E-03 -8.5763El00 6.8L61E-06 -l.l%8E*Ol L.1435E-06 .___ _ _ _ _

l . lLl7E-06 2.1909E-02 1.1 R6E- 17 2 .BBOOE-02

n.1572 50.6272 L9.8582

122.1L72 56.1552

69.2092 -4.5800E+03 69.2792 -l.OL69E+OL 57.9042 -1.7063E.03

98.2572 -1.0585E+W

LL. 7492 130.3672 L2.9902

242 .Pa72

205.9872 -1.392BE+OL

82.7612 -B.SSLOE+OS

5 3 . i n 2

n.5462 -6 . i 28 i~+os

_ _ _ _ _ _ _ _

.... ..__ 282.9872 -I.TSLOE+W

.__. 2.5182E-02 3.6171E.02 1.3600E-17

2 6 6 2 6 6 2 6 1 2 2

2 1 6 1

1 1 6

276.68 562.16 2 ~ ~ 0 m . 0 0 zy.15 686.00 SL2.37 780.26 231.65 579.00 281.20 696.00 16L.25 125.37

~ . .~ Y2.56 806.00 161.11 552.00 250.33 556.35 335.15 686.00 .__ ..- 227.95 632.35 209.63 536.40 1L3.15 525.00 285.39 705.85

504.19 697.55 307.93 704.65 177.14 6 ~ 3 . 1 5

.__ .__

LL.1267 -5.3%7E*03 .3.9572E*OO 6.967LE-18 6 191.50 577.00 281.1172 -2.0360E4L -4.0422E*Ol 3.2378E.02 1 301.15 542.04 L6.LS92 -7.1600Et03 4.0127E40 8.lL81E-07 2 275.60 687.15

. . . _.. Z:L-DINITROTOLUENE 1.1-DIOXANE 1.2-DIPHENYLHYDRAZINE EPICHLOROHYDRIN ETHYL ACRYLATE ETHYLBENZENE

26.7022 -6.9259E103 -1.6L68E+OO 3.6725E-03 1 Y3.00 8lL.00 L7.3782 -5.6277E4 -4.36L5E40 1.9626E-06 2 28L.95 587.00 89.6L02 -1.2785E*OL -9.5673E40 1.6660E-18 6 LOL.15 573.00 57.0212 -6.6L2OE43 -5.6252E.00 1.2280E-06 2 215.95 610.00

126.6472 -8.2672E43 -1.769LE41 1.8538E.02 1 201.95 553.00

31

TABLE D-1 (CONTINUED)

51 C2HLBR2 52 C2HLCL2 53 C2H602 5L C2HLO 55 C2HLCL2 56 CH2O 57 CLHlW2 58 CLHlW2

60 C6H1203 61 C6HlL03

63 t8H1803 6L C6HlLO3 65 C3H802 66 C6H1202 67 C8HlW2 68 C5H1202 69 C8H1803 70 C6HlL02 71 t8HlaDL 72 C8H1503 73 C6CL6 71 CLCL6 75 t2CL6 76 C6HlL 77 C8Ht02 78 t9HlLO 79 CLH203

81 CH38R 82 CH3CL 83 C2H3CL3 84 CLH80 85 CH6N2 66 C6H12O 87 C2H3YO 88 C5H802

59 cow i ta

62 CSHIWS

80 cnLo

ETHYLENE BRWIDE 38.8582 -5.587E*03 -S.O89lE*OO 8.2o6LE-07 ETHYLENE OICHLWIOE 111.L972 -7.323OE*03 -1.5370E*Ol 1.679LE-02 ETHYLENE GLYCOL 189.7LR -l.L615E*oL -2.5433ElOl 2.01LOE-05 ETHYLENE OXIDE 91.9272 -5.L330E43 -1.2517E*Ol ( . W E - 0 2 ETHYLIOENE DICHLWIOE 76.6602 -6.0103E103 -9.1336E100 8.59LOE-06 FWMLDEIIYOE 96.6172 -4.9172E*03 -1.3765E*01 2.203lE-02 ETHYLENE GLYCOL DIMETHYL ETHER 80.1902 -6.3722E*03 -l.OO(UE*Ol 9.9L99E-03 ETHYLENE GLYCOL MCUOETHYL ETHER 266.7972 -1.384SE+OL -4.OPOOE+01 4.00961-02 DIETHYLENE GLYCOL MONOETHYL ETHER ACETATE 105.8972 -9.905@€+03 -1.3729E+01 1.2203E-02 ETHYLENE GLYCOL YONOETHYL ETHER ACETATE 79.6572 -8.6785E*03 -8.72LLE.00 1:0459E-l7 DIETHYLENE GLYCOL MONOETHYL ETHER 250.9672 - 1.716LE*oL -3. L6WE*01 2.5 107E-05 ETHYLENE GLYCOL MONWETHYL ETHER ACETATE. 80.0053 -8.6783E*03 -O.RLLE*OO 1.0459E-17

DIETHYLENE GLYCOL OIMETHYL ETHER 78.2L92 -8.2848E103 -8.6687€+00 1.9629E- 17 ETHYLENE GLYCOL MONWETHYL ETHER 353.1672 -1.6590EloL -5.SLSOE41 6.6861E-02 ETHYLENE GLYCOL MONOPRDPYL ETHER 65.33L2 -7.7712E43 -6.69fAE*00 2.2398E-17 ETHYLENE GLYCOL MONWHENYL ETHER. 108.8519 -1.0705E*04 -l.SlLOE*Ol 2.978lE-17 DIETHYLENE GLYCOL MONWETHYL ETHER L28.7372 -2.173OE1oL -6.6b16E.01 6.WO3E-02 DIETHYLENE GLYCOL OIETHYL ETHER 71.5962 -8.5825E43 .7.68(7E*OO 3.6009E-06 ETHYLENE GLYCOL MONO8UTYL ETHER 110.6072 -1.0705E*oL -1.31LOE41 2.97BlE-17 TRIETHYLENE GLYCOL DIMETHYL ETHER 98.8572 -1.1633E*W -1.1067€*01 6.2208E-18 ETHYLENE GLYCOL MONOBUTYL ETHER ACETATE. 78.7842 -8.6783E103 -8.RLLE40 l.oL59E-17 HEXACHLOROBENZENE 158.3372 -1.832LE*W -1.88WE*01 2.3902E-18 HEXACHLOROBUTADIENE 81.9512 -9.5280E*03 .9.0606E*00 1.3588E-06 HEXACHLOROETHANE L30.2172 -2.7220EIoL -6.OL95E101 3.0865E-05 HEXANE 160.5772 -8.3533E*03 -2.3927ElOl 2.9L69E-02 HYORWUINONE ' 105.9772 -1.2856E.U -1.26TfE41 6.9120E-03 ISOPHORONE 78.1382 -8.1126Em -9.51 17E*OO 8.1784E-03 WiLEIC ANHYORIDE 63.9872 -7.7226E103 -7.2087€*00 7.0169E-03 METHANOL 105.0372 -7.L713E*O3 -1.3988E*01 1.5281E-02 METHYL BRf f l IDE 67.6932 -L.6966E*03 -7.W66E*00 1.1553E-05 METHYL CHLORIDE 59.2372 -L.O301E*03 -6.7151E*00 1.0210E-05 METHYL CHLOROFORM 84.1522 -6.5LL2E103 . 1 .0205E*01 8 S368E-06 METHYL ETHYL KETONE 109.8472 -7.1300E43 -1.5l&E+Ol 1.72341-02 METHYL H Y O R A Z I N E METHYL ISOBUTYL KETONE 147.8072 - 1 .OOSLE+W -1.9766E*01 1.6353E-05 METHYL ISOCYANATE 11,7652 -L.L556€*03 -3.6339E.00 1.502LE-17 METHYL METHACRYLATE 246.1372 -1.2lILE+oL -3.765LE*01 L.2873E-02

DIETHYLENE GLYCOL MONDBUTYL ETHER in .6772 -I.S~I~E+OL -Z.I~OBE+OI 2.8569~-17

_.._ _._. ___. __._

~~ ~~ ~~~ ~ ~~ ~~~

89 C S I I l Z O METnVL TERT-BUTVL ElhER 90 Ch2CL2 METAVLENE CHLORIDE 91 C15HlON202 METdVLEhE OlPhENVL O I I S O C I A N A T E 92 C13HlLN2 4.L-METHVltNEDIAYILIhE 93 cion8 NAPHTHALENE 94 C6H5N02 NITROBENZENE 95 C6H5N03 2-NITRWHENOL 96 C3H7N02 2-NITROPROPANE 97 C6H60 PHENOL 98 C6H8N2 P-PHENYLENEDIMINE w COCL2 PHOSGENE

100 C8HLO3 PHTHALIC ANHYDRIDE

50.981 2 -5.1301E103 - I . 961 7E+OO 1.9765E- 17 7L.97L2 -5.7947E103 -8.8015E+00 7.6L32E-06 78.9502 -1.36oLE4L -7.8429E40 6.0025E-18

80.3972 -9.0622E.03 -9.06L8E40 3.5805E-06 85.5522 -9.7448E+O3 -9.5228E40 7.5659E-18 _ _ _ _ .___ _._. __.. 51.5512 -6.2903E+03 -L.&62E*00 9.2273E-18 5L.1872 -8.051)OE*03 -L.BWOE+OO 2.800E-W 79.0322 -1.13LlEIOL -8.1769E40 1.576lE-18

107.4272 -5.677LE.03 -1.5351E*Ol 2.1250E-02 70.5352 -8.9302E*03 -7.8671E40 5.9603E-06

2 282.85 650.15 1 237.L9 561.00 2 260.15 6L5.00 1 160.71 469.15 2 176.19 523.00 1 181.15 LO8.00 1 215.15 536.15 1 185.00 569.00 1 248.15 660.00 6 211.LS 597.00 2 250.00 632.00 6 211.15 597.00 6 205.15 65L.00 6 203.15 (32.91 1 225.00 56L.00 6 183.15 582.00 6 203.15 600.00 1 250.00 630.00 2 228.85 62L.00 6 203.15 600.00 6 229.35 651.00 6 211.45 597.00 6 501.70 825.00 2 252.15 741.00 2 459.95 512.25 1 177.84 507.L3 1 L44.65 822.00 1 265.05 715.00 1 326.00 710.00 1 175.L7 512.58 2 179.L7 167.00 2 175.L3 L16.25 2 2L2.75 5L5.00 1 166.L8 535.50

2 189.15 571.LO 6 256.15 505.00 1 22L.95 561.00

- _ _ _ _..

6 16L.55 L97.10 2 178.01 510.00 6 311.20 609.00

1 31L.06 69L.25 6 413.00 796.00 1 lL5.37 455.00 2 LoL.15 791.00 .....____________

32

TABLE D-1 (CONTINUED)

NO $ M U L A NAME

101 UHLO2 BETA-PROPIOLACTOYE 102 C3WM PROPIMIALDEHYDE 103 C3H6CL2 PROPYLENE DICHLORIDE 104 OHM PROPYLENE OXIDE 105 C6HL02 OUINOYE

.-. ____..._. ______.____.___________.____.__..-..._.

~. .. . ._ lo6 C8H8 107 C2H2CLl 108 C2CLL 109 C7H8 110 C7HlON2 111 EPH6N202 112 C7H9N 113 C6H3CL3 114 C2H3CL3

~~ ~ . STYRENE

. 2.4-TOLUENE DIAMINE 2.4-TOLUENE 01 ISOCIANATE 0-TOLUIOINE 1,2,6-TRICHL~OBENLENE 1.1.2-TRICHLDROET~LNE

-9.2655E4 -1 .D273E+01 -6.1912E.03 -6.9950E+03 -1.2648E104 -1.1659E.01

128.6272 129.6872 53.8712 T0.6662

100.9772 95.0812

222.3572 -l.U24E+04 35 .PO82 -6.6591E43 4.6936E-04

-1.7609E+Ol -1.6556E+Ol -5.3312E*00 -V.l635E*00 -1 .lLRE+Dl -1.0583E*01 -3.2263EIDl -2.5549E*00

1.5391E-02 9.308lE-06 2.1269E-06 6.225DE-06 2.9007E-06 6.1543E-18 2 .8462E-02

1 262.54 229.35 250.80 178.18 371.25 287.01 249.67

1 290.15 2 236.50

6 1

648.00 645.00 620.00 591.79 804.00

696.15 725.00 302.00

757.00

.___ _ _ _ _ . . I _ .-._ - _.- _ _ _ 115 C2HCL3 116 C60CL30 2,6, 5 - T R ICHLOROPHENOL 117 C6HlSN TRIETHYLAMINE 51.6572 -5.6819€*03 -6.981SE*OO 1.2363E-17 6 158.45 535.15 118 C8Hl8 2.2.6-TRIMETHYLPENTANE 115.9172 -7.5500E*03 -1.6111E101 1.7099E-02 1 165.78 563.96 119 CbH602 VINYL ACETATE 43.0492 -5.2462E43 -3.636DE*00 4.5798E-18 6 W.35 526.00 120 C2HSCL VINYL CHLORIDE 121.9572 -5.7601E43 -1.7914EIOl 2.6917E-02 1 119.36 431.55 121 CZH2CL2 VINYLIDENE CHLORIOE 67.7482 .5.4481E+Q3 -7.5697E*OO 7.0922E-17 6 10.59 462.00 122 XYLENES ( I S O I E R S 6 MIXTURES) 123 C8HlO M-XYLENE 79.8542 -7.5941E*O3 -9.2570E100 5.5500E-06 2 225.30 617.05 124 C8HlO 0-XYLENE 85.7512 -7.9608E.03 -1.0126E+Ol 6.0150E-06 2 267.98 630.37 125 C8HlO P-XYLENE 138.2772 -9.2470E+03 -1.944lE*Ol 1.9084E-02 1 286.41 616.26

.___ _._. ...- ..__ - _.- _ _ _ .....................................................................................................................

- Estimated values f o r coe f f i c i en ts in vapor pressure equation. Ln * natura l iogarithm Primary &fa source: Daubert, T , E. and R . P. Darner, DLTA CCUPILATION OF PROPERTIES O$ PURE CMPCUNDS, Parts 1.2,s

and 4, Syglements 1 and 2, DlPPR Project, AIChE, Ner York, NY (1985-1992).

3 3

TABLE D-2 VAPOR PRESSURE - ANTOINE EQUATION

lop P A - B/(T*C) (P - a n He, 1 - C )

A B C TWIN T M X .-...---._____________________.__._.__._.

._.-... -._______ _ _ _ _ _ _ _ _..- - - - - 8 . 3 0 ~ ~ 2 m . n o 237.134 61 210 7.69239 lW0.755 235.347 23 178 7.58826 1388.510 232.537 -35 20 6.84297 1115.190 191.648 2 25 7.02316 2420.564 237.476 72 252 --.----_.-..--..-_..__._.__.___.________--

log = lcxarithm t o b s a I O P r i m r y data i w r c e : ma, 5.. C-, Data Boot Ptbliihing

CapMy, Tokyo, Japan (1976).

3 4

APPENDIX E

WATER SOLUBILITY

YO F O n U l a N u n c

S o l t b i l i t y in uater a 25 c p p n ( W t ) Source

772LO.00 Sm?naen, J. M. and Y. A r l t . ~ I P U I D - L I W I D EOUlI, lBRlLH DATA COLLECTION, Vol. V, part

'1. Dechnm Chemistry Data Series, MOD FrankfurtlMain. Germany (1979).

74900.00 Kirk,' R. E. 8nd D. F. Dthmcr, eds.. LNCYCLOPEDIA OF CHEMICAL TECHNOLOGY, 3rd ed.. Vol. 11, John Y i l s y ud Sms. IK..

c000.00 Horvath, A. L., HALOGENATED HYDROCARBONS. Marcel Dekker, IW. . New York. NY (1982).

10 C6H7N A N I L I N E SL160.00 Selected

in5.17 Sormsen. J. M. ad Y. A r l t , U O U I D - L I O U I D ~ O U l L l B R l L i U DATA COLLECTIW, Vol. V. part 1, Dechma Chemistry Data Series. M O O FrantfurtlMain, Gtruiny (1979).

1780 .OO McAuliffe, C., J. Phy. them., E, 1267 (19M).

1755.00 McDevit, Y. F. a d F. A. Long, J. &TI. Chm. Soc.. a, lm (1952).

35

15 C12HlO BIPHENYL 7.00 Selected

7.08 Yauchopc, R. D. ud F. U. Getzm, J. Phys. Chap. Data. u. 38 (1972).

785.70 Sorcnsen, J. M. and Y. A r l t , kIOUID-LIQUID gOulLlBRlUM O A T A C O L L E C T I O Y , Vol. V, p a r t 1. Dechme C h m i s t r v Oats series. 6000

500.00 Andreus. L. J. and R. M. Kccfer, J. Am. Chm. Soc.. n, 3113 (1950).

7e42.70 Sermsm, J. M. and Y. A r l t , ~QU~D-LIOUIO ~OUlLlBRlUV DATA COLLECTION, Vol. V, p a r t

36

20200.00 Stephen, H. and 1. Strphm, S O L U B I L I Y I E S OF LNORGANIC AND ORGANIC CDIPWNOS, Vol . 1, P a r t 1, MamiLLan Conpsny, Yew York, Y Y (1963 >.

50.00 McAuliffe, C.. J. Phy. Chn.. 70. 1 2 6 7 (1966).

79.00 Seidel l . 1.. , 5OLUBlL lT IES OF ORGANIC CDIPWNDS, VoL. I l l . 3rd ed., Van Y o s t r s n d to . , weu Yort, NY ( 1 9 4 0 .

bP C 8 H l O ElHYLBENZENE . 165 .13 Selected

165 .13 SLrMsen, J. M. and Y. A r l t , ~ I O U I O - L I O U I D E P u l L l B R l W DATA COLLECTION. Vol . V, part 1. O e c h m Chmis t rv Data Series. 6000

177.00 P o l a k , J. and 8. C. 1. Lu, Can. J. Chn. - 51. LO18 (1973);

37

,

'1

161.00 Sutton, C. vd J. A. Calder, J. Chnn. Eng. Oats, a, 320 (1975).

175.00 K~CWN, H. 8.. J. Phyn. Col io id Chan.,E, 28.3 (1950).

SerensM, J. M. a d Y. A r l t , ~lPuID-LlPUlD EPUILIBRIUW DATA COLLECTION, Vol . V, part 1. D e c h m Chmis t rv Oats Series. WOO

10600.00 Horvath. A. L., HALOGENATED HYDROCARBONS, Marcel Dekter, Inc., Yew York. Y I (1982) .

5032.00 smrcnsm, J. M. and u. A r i t , ~ I P u I D - L I O U I O ~ P U l L l B R l W DATA COLLECTION, Vol. V, pa r t 1. Oechm Chmis t rv Data Series. 6000

229000.00 Kirk, P. E. and 0. F. Othmr, eds., ENCYCLOPEDIA OF CHEMICAL TECHNOLOGY, 3rd ed., V o l . 11, John Yi ley and S w , Inc., Yew York, MY (1980). .............................................................................................................

67 CBHlDO2 ETHYLENE GLYCOL MONOPHENYL ETHER 27000.00 setected

1 5 0 0 0 . 0 0 Kirk, R . E. and 0. F. Othmr. eds., ~NCYCLOPEDIA OF CHEMICAL TECHNOLOGY, 3rd ed.. V o l . 11, ~ o h n Yi ley and Sons. Inc..

74 CLCL6 HEXACHLOROBUUDIENE . 3.23 Sel ec ted

3 a

R 3.21 Horvath, A. L., HALOGENATED UYOROCAKBONS, Marcel Dekker. I r e . , Yaw York, Y Y (1982).

9.5200 Baker, €. 6.. FUNDAMENTAL ASPECTS OF PETROLEUM GEOtnEMlSTRv, Yaw. 8. and U. C o l w b , cds., Chapter 7. 299, Elsevier P tb l i sh ing Eo.. Yeu York. MY (1967).

5900.00 Horvath,. A. L., HALOGENATEO UYOROCARBONS, Marcel Dekker. I n c . , Yen York. NY (1982).

700.00 Horvath. A. L., HALOGENATED HVOROCARBONS, Marcel Dekker, I n c . , Wen York. N 1 (1982).

PA CLUE0 METHYL ETHYL KETONE 248600.00 selected

2b8600.00 Soream, J. M. and Y. A r l t , ~IPUIO-LIQUID EOUILIBRIUM DATA COLLECTION, Vol. W , par t 1. D e c h m ChemistrY Data Series. 6000

521 00 .OO Srrmsm, J. M. and Y. A r l t , &roulD-LlOulO EPUlLlBRlLM DATA COLLECTION, Vol. V, par t 1, Dechmm Chemistry Data Series. 6000

39

31.20 Yauchop, R. D. and F. Y. Getrcn, J. P h y s . Chap. Data. E. 38 (1972).

31.70 *.ckay. D. ud Y. 1. Shiu. J. Chon. E w . Data. 2, 399 (1977).

1936.00 S.rmoen, J. M. ud Y. Arlt, L I P u l D - L l W l p W J l L l B R l W DATA COLLECTION, V O l . V, part 1. Dechcm Chanirtrv Data Series. MOO

2750.00 Seremen, J. M. and Y. Arlt, LIPUIO-LIOUID O U I L l B R l U M DATA COLCECTION, Vol. V, part :. Dechmu Chcmistrv Data Series, 6000

(1979).

321.60 S#remm, J. M. am Y. Arlt, J,lWlD-LlOUlD g P U l L l B R l L M DA1A COLLECTION. Vol. V, part 1, Dechma Chemistry Data Series, 6000

2900.00 Sercnrcn. J. M. aid Y. Arlt. U O u l D - L l O u l O CTIOY, V o l . V, part

franlrfurtlMain. G e r m y (1979).

2900.00 Sercnrcn. J. M. aid Y. Arlt. U O u l D - L l O u l O ~OUlLlBRlW DATA FOLLE CTIOY, V o l . V, part 1. Dechenm Chemietry Data Series, MOO franlrfurtlMain. G e r m y (1979).

150.00 Horvath, A. ' L . , HALOGENATED HYDROCARBONS, Marcel Dekker. IN., Yew York, Y 1 (1982).

562.37 Srrcnsm. J. M. and Y. Arlt, L I O U I D - L I O U I D ,€OUlLlBRlLM DATA COLLECTION, Vol. V, part

4 0

517.00 Mackay. D., Y. 1 . Shiu and A. U. Yolkoff, ASTM 573. 251 (1975).

500.00 Klevmr, H. 8.. J. Phys. Co l lo id C h m . . ~ , 283 (1950).

519.50 Mackay. D. and Y. 1. Shiu, Can. J. Cha. Em.. U. 239 (1975).

4393.00 Serensen. J. M. and Y. A r l t , LIOUID-LIOUIO E O U l L l B R l W DATA COLLECTION, Vol. V, part 1. Oechema Chemistry Data Series, 6000 FrankfurtlMain, Germany (1979).

4380.00 Horvath, A. L., HALOGENATED HYOROCARBDNS, Marcel Dekker. Inc.. New Vork. Y V (1982).

72930.00 Smrmsen, J. M. and Y. A r l t , L IOUID-L IOUIO fou lL lBR lUM DATA COLLECTION, Vol. V, par t 1, Dechms Chemistry Data Series, 6000

2.0500 Polak, J. and B., C. '1. Lu, Can. J. Chem., u, 4018 (1973).

2763.00 Horvath. A. L., HALOGENATED HYDROCARBONS, Marcel Dekker. I % . , New Vork. NY (1982).

41

.................................................................................................... 3345.00 Morvath, A. L., MALOGENITED MYPROCARBMIS,

Marcel Detker. IK.. Yeu Yort. Y Y (1982). ~~ ............................................................................................................

123 con10 I -XYLENE i n . 9 1 se lected .................................................................................................... 173.97 Sw.Mm. J. M. ud Y. A r l t . LIOUID-LIOUID

~ O u l L l B R I W DATA COLLECT MI. Vol. V, p a r t 1, Dechenm Chemistry k Series. M O O Franl fur t lMain, hrfbc.ny (1979).

162.00 Polat , J. and B. C. 1. LU, Can. J. Chem. z, ~ 0 1 8 ( i 9 n ) . .............................................................. 196.00 Bohm, R. 1. and Y. 1. Clauscm, J. Am.

them. Soc., n, 1571 (1951). .............................................................. i n . 0 0 A n d r m , L. J. ud R. M. Knfar , J. Am.

Chem. Soc.. .& 3644 (1949). ~~ ..............................................................

146.00 Su t tm, t. a d J. A. Caldcr. J. them. E W . Data, a, 320 (1975). - ..............................................................

134.00 Pr ice, L. E., Bul l . Am. Assoc. Petro l . Geologists, g t 2 ) . 213 (1976). .............................................................................................................

124 C8HlO 0-XYLENE 220.83 Sei ected .................................................................................................... 220.83 Smrmsen. J. It. and Y. A r l t . UWID-LiOUID

fOUlllBRlUW DATA C O L L E C T I W , Vol. V, p a r t 1, Dechnna Chemistry Data Series, 6000 Frant fur t lMain, Gernany (1979).

i n . 0 0 I tcAul i f fe , C., J. Phy. Chem., Ip. 1267 (19M). ..............................................................

170.00 Suttm, C. and J. A. Calder, J. them. E N . Data, g, 320 (1975).

Geologists. 3qt2). 213 (1976).

.............................................................. 167.00 Pr ice, L. C.. Bull. Am. Assoc. Petro l .

.............................................................. 204.00 S u t t ~ , C. and J. A. Calder. J. Chem. E w .

Data, a, 320 (1975).

213.00 Polat , J. and B. C. 1. L u , Can. J. Chem. u. 4010 (i~n). -. ............................................................................................................. 125 C8H10 P-XYLENE 201.68 Selected ....................................................................................................

201.68 Sermsen. J. It. and Y. A r l t , LlOUlD-LiOUlO ,EOUiLlBRlv* DATA COLLECTION, Vol. V. p a r t 1, Duhenm Chemistry Data Series, 6000 F r a n t f u r t l I a i n , Germany (1979).

185.00 Polak. J. and 0. C. 1. tu, C n . J. Chem. z, i o i o (i~n). .............................................................. 198.00 BohM, R. 1. and Y. F . Clartlsm, J. Am.

Chem. Soc., 3, 1571 (1951).

157.00 Pr ice, L. C., B u l l . Am. Assoc. Petro l . Geologists, ppt2). 213 (1976). ..............................................................

156.00 Sutton, C. and J. A. Calder, J. Chnn. Enp.

200.00 Ardrm. L. J. and R. M. Keefer, J. Am.

~ a t a . g, 320 (197s). .............................................................. Chem. SOC., n. 3bU (1949).

ppn(ut) - p a r t s per m i l l i o n (weight) .

4 2

APPENDIX F

ACTIVITY COEFFICIENT AT INFINITE DILUTION

5.a JNTERNATIOUAL CRITICAL TA0LES.,*sGrau-Hill, New Yort. NT (1P28).

3.50 D ' A v i l a , 5. 6. ud R. S. F. Silva, J. Chn. E N . Data, a, 421 (1970).

P.48 MaSlM, F. d. and E. A. Stoddard, 1. Phys. Chem., Pp. 1146 (1956).

9.2L Vierk, A. L.. 2. Anorg. chn. , a, 283 (1950).

16 CZHLCLZO BlS(CHLa(*ETHYL)ETHER 129.93 E B t i m t e d

4 3

0.44 Carleton, 1. 1.. Id. Eng. Chm. Chon. Eng. Data Series, 1, 21 (1956).

6.10 K o r t w . G., D. Mcmgiing and r. uoerner, [ha. Ing. Tech., 2, 453 (1950).

8.25 Smith, E. R. and M. J. Yo jc iuhwsk i , J. Res. Nat. Bur. S t u d . Sect. A, E, L61 (1937).

19.38 nwmem, Y. u d K. H. S i m o c k , Chan. In#. Tuh., 2, 1053 (1966).

5.61 D a i n i k , U. and J. Uoisiechonka. Przm. Chm., a, 61 (1939).

59 C8HlMb DIETHVLEYE GLYCOL W D E T H Y L ETHER ACETATE 18L.13 E s t i w t e d

4 4

19.81 S c a t c h a r d , G. and G. M. Y i l s o n , J. In. Chm. Soc., &, 133 (1964).

4a.92 E s t i m a t e d 71 C B l i l W TRIETHYLENE GLYCOL DIMETHYL ETHER

TI C8H602 HYDROaUlNWE 19.07 E s t i m a t e d

2.15 Green, 5. 1. and R. E. V e m e r , Ind. E w . C h n . . 47, 103 (1955) .

pa C ~ H B U Z P-PHENYLENEDIAMiNE 14.23 E s t i m a t e d