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Isopropyl alcohol Fórmula: C3H8O Peso molecular: 60.0950
IUPAC InChI Estándar:
o InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
o Descarga el identificador en un archivo.
IUPAC InChIKey Estándar: KFZMGEQAYNKOFK-UHFFFAOYSA-N
Número de registro CAS: 67-63-0
Estructura química: Esta estructura está también disponible como 2d Mol file o como computed 3d Mol file.
Isotopómeros:
o 2-propanol-O-d
Otros nombres: 2-Propanol; sec-Propyl Alcohol; Alcojel; Alcosolve 2; Avantin; Avantine; Combi-Schutz; Dimethylcarbinol; Hartosol; Imsol A; Isohol; Isopropanol; Lutosol; Petrohol; Propol; PRO; Takineocol; 1-Methylethyl Alcohol; iso-C3H7OH; 2-Hydroxypropane; Propane, 2-hydroxy-; sec-Propanol; Propan-2-ol; i-Propylalkohol; Alcohol, rubbing; Alcolo; Alcool isopropilico; Alcool isopropylique; Alkolave; Arquad DMCB; iso-Propylalkohol; Isopropyl alcohol, rubbing; IPA; Lavacol; Visco 1152; Alcosolve; Chromar; i-Propanol; 2-Propyl alcohol; Spectrar; Sterisol hand disinfectant; UN 1219; (-)-2,3-O-Isopropyl alcohol; Alcohol; Alcowipe; DuPont zonyl FSA fluorinated surfactants; DuPont zonyl FSJ fluorinated surfactants; DuPont zonyl FSN fluorinated surfactants; DuPont zonyl FSP fluorinated surfactants; I.P.S.; n-Propan-2-ol; Rubbing alcohol; Sec-propyl; Sterets pre-injection swabs; 1-methylethanol; Propanol-2
Information on this page:
o Datos de fase gaseosa
o Datos de fase condensada
o Datos de cambio de fase
o Datos termodinámicos de reacción
o Datos de energética de iones on fase gaseosa
o Datos de agregados iónicos
o References
o Notes / Error Report
Other data available:
o Datos del ley de Henry
o Espectro de IR
o Espectro de masa (ionización del electrón)
o Cromatografía de gas
Data at other public NIST sites:
o Computational Chemistry Comparison and Benchmark Database
o Gas Phase Kinetics Database
o X-ray Photoelectron Spectroscopy Database, version 3.5
Options:
o Switch to calorie-based units
Data at NIST subscription sites:
NIST X-ray Photoelectron Spectroscopy Database, version 4.0 NIST / TRC Web Thermo Tables, "lite" edition (evaluated thermophysical
and thermochemical data)
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Datos de fase gaseosaGo To: Top, Datos de fase condensada, Datos de cambio de fase, Datos termodinámicos de reacción, Datos de energética de iones on fase gaseosa, Datos de agregados iónicos, References, Notes / Error Report
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:ALS - H.Y. Afeefy, J.F. Liebman, and S.E. SteinDRB - D.R. BurgessGT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity Value Units Method Reference Comment
ΔfH°gas -272.8 kJ/mol EqkBuckley and Herington, 1965
ALS
ΔfH°gas -271.1 kJ/mol N/A Chao and Rossini, 1965
Value computed using ΔfHliquid° value of -317.0±0.3 kj/mol from Chao and Rossini, 1965 and ΔvapH° value of 45.9 kj/mol from Snelson and Skinner, 1961.; DRB
ΔfH°gas-272.3 ± 0.92 kJ/mol Ccb Snelson and
Skinner, 1961 ALS
ΔfH°gas -272.8 kJ/mol N/AParks, Mosley, et al., 1950
Value computed using ΔfHliquid° value of -318.7 kj/mol from Parks, Mosley, et al., 1950 and ΔvapH° value of 45.9 kj/mol from Snelson and Skinner, 1961.; DRB
Constant pressure heat capacity of gas
Cp,gas
(J/mol*K)Temperature
(K) Reference Comment
35.32 50. Thermodynamics Research Center, 1997
p=1 bar. Discrepancies with other statistically calculated values [ Green J.H.S., 1963] and [51KOB] increase at high temperatures up to 5 and 9 J/mol*K, respectively, in Cp(T). There is a good agreement with results [ Chao J., 1986]. Please also see Chao J., 1986, 2.; GT
46.04 100.
57.98 150.
68.28 200.
83.72 273.15
89.32 ± 0.15 298.15
89.74 300.
112.15 400.
131.96 500.
148.30 600.
161.75 700.
173.04 800.
182.67 900.
190.97 1000.
198.16 1100.
204.41 1200.
209.85 1300.
214.60 1400.
218.75 1500.
227.0 1750.
233.1 2000.
237.6 2250.
241.0 2500.
243.7 2750.
245.7 3000.
Constant pressure heat capacity of gas
Cp,gas
(J/mol*K)Temperature
(K) Reference Comment
103.06 358.72 Stromsoe E., 1970
Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1*(a+bT). This expression approximates the experimental values with the average deviation of 1.59 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Other experimental values of Cp [ Parks G.S., 1940] (118.83 at 427.9 K, 127.61 at 457.7 K, and 135.56 J/mol*K at 480.3 K) are believed to be less reliable. Please also see Hales J.L., 1963, Berman N.S., 1964.; GT
105.7 ± 1.6 365.75
105.77 371.15
106.29 373.15
108.1 ± 1.6 378.85
109.2 ± 1.6 384.95
110.08 391.15
110.8 ± 1.6 393.65
111.65 398.15
113.0 ± 1.6 405.35
114.35 411.15
117.02 423.15
118.70 431.15
122.10 448.15
122.80 451.15
121.7 ± 1.6 453.15
124.2 ± 1.6 466.75
127.01 473.15
126.7 ± 1.6 480.55
130.3 ± 1.6 499.75
132.9 ± 1.6 513.95
137.5 ± 1.6 539.05
142.6 ± 1.6 567.05
148.1 ± 1.6 597.25
Datos de fase condensadaGo To: Top, Datos de fase gaseosa, Datos de cambio de fase, Datos termodinámicos de reacción, Datos de energética de iones on fase gaseosa, Datos de agregados iónicos, References, Notes / Error Report
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:ALS - H.Y. Afeefy, J.F. Liebman, and S.E. SteinDH - E.S. Domalski and E.D. Hearing
Quantity Value Units Method Reference Comment
ΔfH°liquid-317.0
± 0.3 kJ/mol Ccb Chao and Rossini, 1965 see Rossini, 1934; ALS
ΔfH°liquid-318.2 ± 0.71 kJ/mol Ccb Snelson and
Skinner, 1961 ALS
ΔfH°liquid -318.7 kJ/mol CcbParks, Mosley, et al., 1950
see Parks and Moore, 1939; ALS
Quantity Value Units Method Reference Comment
ΔcH°liquid -2006.9 kJ/mol Ccb Chao and see Rossini, 1934; Corresponding
± 0.2 Rossini, 1965ΔfHºliquid = -316.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid-2005.8
± 0.4 kJ/mol Ccb Snelson and Skinner, 1961
Corresponding ΔfHºliquid = -318.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid -2005.1 kJ/mol CcbParks, Mosley, et al., 1950
see Parks and Moore, 1939; Corresponding ΔfHºliquid = -318.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
S°liquid 180.58 J/mol*K N/AAndon, Counsell, et al., 1963
DH
S°liquid 179.9 J/mol*K N/A Kelley, 1929 DH
S°liquid 192.9 J/mol*K N/A Parks and Kelley, 1928
Extrapolation below 70 K, 43.56 J/mol*K.; DH
S°liquid 190.8 J/mol*K N/A Parks and Kelley, 1925
Extrapolation below 90 K, 53.22 J/mol*K.; DH
Constant pressure heat capacity of liquid
Cp,liquid
(J/mol*K)Temperature
(K) Reference Comment
161.2 298.15 Roux, Roberts, et al., 1980 DH
154.75 298.15 Brown and Ziegler, 1979
T = 185 to 304 K. Results as equation only.; DH
165.6 311.6 Griigo'ev, Yanin, et al., 1979
T = 311 to 453 K. p = 0.98 bar.; DH
154.43 298.15 Andon, Counsell, et al., 1963 T = 10 to 330 K.; DH
162.8 298.2 Katayama, 1962 T = 10 to 60°C.; DH
180.3 324. Swietoslawski and Zielenkiewicz, 1958 Mean value 21 to 81°C.; DH
154.0 298. Ginnings and Corruccini, 1948 T = 0 to 200°C.; DH
159.99 298.04 Zhdanov, 1945T = 7 to 41°C. Value is unsmoothed experimental datum.; DH
172.4 303.2 Phillip, 1939 DH
163.6 298. Trew and Watkins, 1933 DH
149.75 292.84 Kelley, 1929T = 16 to 298 K. Value is unsmoothed experimental datum.; DH
180.3 298.1 Parks, Kelley, et al., 1929
Extrapolation below 90 K, 42.68 J/mol*K.; DH
151.0 293.1 Parks and Kelley, 1928T = 71 to 293 K. Value is unsmoothed experimental datum.; DH
152.3 293.1 Parks and Kelley, 1925T = 71 to 293 K. Value is unsmoothed experimental datum.; DH
169.9 303. Willams and Daniels, 1924
T = 303 to 323 K. Equation only.; DH
Datos de cambio de faseGo To: Top, Datos de fase gaseosa, Datos de fase condensada, Datos termodinámicos de reacción, Datos de energética de iones on fase gaseosa, Datos de agregados iónicos, References, Notes / Error Report
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:TRC - Thermodynamics Research Center, NIST Boulder Laboratories, M. Frenkel directorBS - R.L. Brown and S.E. SteinALS - H.Y. Afeefy, J.F. Liebman, and S.E. SteinDH - E.S. Domalski and E.D. Hearing
Quantity Value Units Method Reference Comment
Tboil355.5 ±
0.4 K AVG N/A Average of 101 out of 119 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus 184.65 K N/A Anonymous, 1968 TRC
Tfus 185.75 K N/AOgimachi, Corcoran, et al., 1961
Uncertainty assigned by TRC = 0.5 K; TRC
Tfus 185.35 K N/A Anonymous, 1958 TRC
Quantity Value Units Method Reference Comment
Ttriple184.9 ±
0.6 K AVG N/A Average of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tc509. ±
2. K AVG N/A Average of 19 out of 20 values; Individual data points
Quantity Value Units Method Reference Comment
Pc 49. ± 5. bar AVG N/A Average of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Vc 0.222 l/mol N/A Gude and Teja, 1995
Vc 0.223 l/mol N/AAmbrose, Counsell, et al., 1978
Uncertainty assigned by TRC = 0.003 l/mol; PVT compatible with values chosen.; TRC
Quantity Value Units Method Reference Comment
ρc4.51 ±
0.02 mol/l N/A Gude and Teja, 1995
ρc 4.54 mol/l N/A Teja, Lee, et al., 1989 TRC
ρc 4.538 mol/l N/A Ambrose and Townsend, 1963 TRC
Quantity Value Units Method Reference Comment
ΔvapH° 45. ± 4. kJ/mol AVG N/A Average of 6 values; Individual data points
Enthalpy of vaporization
ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
39.85 355.4 N/A Majer and Svoboda, 1985
43.40 ± 0.08 324.11 V Williamson and Harrison, 1957 ALS
Enthalpy of vaporization
ΔvapH = A exp(-αTr) (1 − Tr)β
ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol) Tr = reduced temperature (T / Tc)
View plot Requires a Java capable browser.
Temperature (K) 298. - 380.
A (kJ/mol) 53.38
α -0.708
β 0.6538
Tc (K) 508.3
ReferenceMajer and Svoboda, 1985
Comment
Antoine Equation Parameters
log10(P) = A − (B / (T + C)) P = vapor pressure (bar) T = temperature (K)
View plot Requires a Java capable browser.
Temperature (K) A B C Reference Comment
395.0 - 508.24 4.57795 1221.423 -87.474
Ambrose and Townsend, 1963, 2
Coefficents calculated by NIST from author's data.
329.92 - 362.41 4.86100 1357.427 -
75.814
Biddiscombe, Collerson, et al., 1963
Coefficents calculated by NIST from author's data.
Enthalpy of fusion
ΔfusH (kJ/mol) Temperature (K) Reference Comment
5.410 185.20 Andon, Counsell, et al., 1963 DH
5.372 184.67 Kelley, 1929 DH
5.301 184.6 Parks and Kelley, 1928 DH
5.297 184.6 Parks and Kelley, 1925 DH
Entropy of fusion
ΔfusS (J/mol*K) Temperature (K) Reference Comment
29.21 185.20 Andon, Counsell, et al., 1963 DH
29.09 184.67 Kelley, 1929 DH
28.72 184.6 Parks and Kelley, 1928 DH
28.7 184.6 Parks and Kelley, 1925 DH
In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:
SRD 103a – Thermo Data Engine (TDE) for pure compounds. SRD 103b – Thermo Data Engine (TDE) for pure compounds and binary
mixtures
SRSD 2 – Web Thermo Tables (WTT), "lite" edition
SRSD 3 – Web Thermo Tables (WTT), professional edition
SRD 88 – Ideal Gas Database
SRD 147 – Ionic Liquids Database
Datos termodinámicos de reacciónGo To: Top, Datos de fase gaseosa, Datos de fase condensada, Datos de cambio de fase, Datos de energética de iones on fase gaseosa, Datos de agregados iónicos, References, Notes / Error Report
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:B - J.E. BartmessM - M. M. Meot-Ner (Mautner) and S. G. Lias
ALS - H.Y. Afeefy, J.F. Liebman, and S.E. SteinRCD - R.C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C3H7O- + H+ =
By formula: C3H7O- + H+ = C3H8O
Quantity Value Units Method Reference Comment
ΔrH° 1569. ± 4.2 kJ/mol D-EA Ramond, Davico,
et al., 2000 gas phase; B
ΔrH° 1571. ± 8.8 kJ/mol G+TS Bartmess, Scott,
et al., 1979
gas phase; value altered from reference due to change in acidity scale; B
ΔrH° 1576. ± 4.2 kJ/mol CIDT DeTuri and
Ervin, 1999 gas phase; B
ΔrH° 1572. ± 8.4 kJ/mol CIDC Haas and
Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
ΔrG° 1542. ± 4.6 kJ/mol H-TS Ramond, Davico,
et al., 2000 gas phase; B
ΔrG° 1543. ± 8.4 kJ/mol IMRE Bartmess, Scott,
et al., 1979
gas phase; value altered from reference due to change in acidity scale; B
ΔrG° 1544. ± 8.8 kJ/mol H-TS Haas and
Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
+ = ( • )
By formula: Cl- + C3H8O = (Cl- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 81.17 ± 0.84 kJ/mol TDAs
Bogdanov, Peschke, et al., 1999
gas phase; B
ΔrH° 76.6 ± 4.2 kJ/mol TDAs Hiraoka and
Mizuse, 1987 gas phase; B,M
ΔrH° 73.6 ± 8.4 kJ/mol IMRE
Larson and McMahon, 1984
gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 103. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
ΔrS° 97.1 J/mol*K N/ALarson and McMahon, 1984
gas phase; switching reaction(cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
ΔrG° 45.6 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
ΔrG° 44.8 ± 8.4 kJ/mol IMRE
Larson and McMahon, 1984
gas phase; B,M
C2H7O+ + = (C2H7O+ • )
By formula: C2H7O+ + C3H8O = (C2H7O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity Value Units Method Reference Comment
ΔrH° 133. kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS° 124. J/mol*K N/A Bomse and gas phase; switching
Beauchamp, 1981
reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG° 96.7 kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
C3H9O+ + = (C3H9O+ • )
By formula: C3H9O+ + C3H8O = (C3H9O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity Value Units Method Reference Comment
ΔrH° 133. kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS° 124. J/mol*K N/ABomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG° 96.7 kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
C4H11O+ + = (C4H11O+ • )
By formula: C4H11O+ + C3H8O = (C4H11O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity Value Units Method Reference Comment
ΔrH° 128. kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS° 118. J/mol*K N/ABomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG° 92.5 kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
C4H11O+ + = (C4H11O+ • )
By formula: C4H11O+ + C3H8O = (C4H11O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity Value Units Method Reference Comment
ΔrH° 134. kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS° 115. J/mol*K N/A Bomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle,
1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG° 99.6 kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
CN- + = (CN- • )
By formula: CN- + C3H8O = (CN- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 69.9 ± 3.3 kJ/mol TDAs
Larson, Szulejko, et al., 1988
gas phase; B,M
ΔrH° 76. ± 15. kJ/mol IMRE
Larson and McMahon, 1987
gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 110. J/mol*K PHPMSLarson, Szulejko, et al., 1988
gas phase; M
ΔrS° 104. J/mol*K N/ALarson and McMahon, 1987
gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
ΔrG° 37.7 ± 0.84 kJ/mol TDAs
Larson, Szulejko, et al., 1988
gas phase; B
ΔrG° 44.8 ± 9.6 kJ/mol IMRE
Larson and McMahon, 1987
gas phase; B,M
C3H9Si+ + = (C3H9Si+ • )
By formula: C3H9Si+ + C3H8O = (C3H9Si+ • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 184. kJ/mol PHPMSWojtyniak and Stone, 1986
gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS° 129. J/mol*K N/AWojtyniak and Stone, 1986
gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Free energy of reaction
ΔrG° (kJ/mol)
T (K) Method Reference Comment
123. 468. PHPMS Wojtyniak and Stone, 1986
gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
+ = ( • )
By formula: F- + C3H8O = (F- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 140.2 ± 2.9 kJ/mol TDAs
Bogdanov, Peschke, et al., 1999
gas phase; B
ΔrH° 135. ± 8.4 kJ/mol IMRE
Larson and McMahon, 1983
gas phase; B,M
ΔrH° 139. ± 9.2 kJ/mol CIDT DeTuri and
Ervin, 1999 gas phase; B
Quantity Value Units Method Reference Comment
ΔrS° 107. J/mol*K N/ALarson and McMahon, 1983
gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
ΔrG° 103. ± 8.4 kJ/mol IMRE
Larson and McMahon, 1983
gas phase; B,M
( • 7 ) + = ( • 8 )
By formula: (Cl- • 7C3H8O) + C3H8O = (Cl- • 8C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 45.6 ± 4.2 kJ/mol TDAs Hiraoka and
Mizuse, 1987
gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
ΔrS° 130. J/mol*K N/A Hiraoka and Mizuse, 1987
gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG° 6.7 ± 4.2 kJ/mol TDAs Hiraoka and
Mizuse, 1987
gas phase; Estimated entropy; single temperature measurement; B
( • 2 ) + = ( • 3 )
By formula: (Cl- • 2C3H8O) + C3H8O = (Cl- • 3C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 62.3 ± 2.1 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
ΔrH° 52.3 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 109. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 20. ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
( • ) + = ( • 2 )
By formula: (Cl- • C3H8O) + C3H8O = (Cl- • 2C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 69.9 ± 1.3 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
ΔrH° 65.3 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 105. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 34. ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
+ = ( • )
By formula: I- + C3H8O = (I- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 54.81 ± 0.84 kJ/mol TDAs Bogdanov, Peschke, et al.,
1999 gas phase; B
ΔrH° 51.0 ± 4.2 kJ/mol TDAs Caldwell and Kebarle, 1984 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 79.9 J/mol*K PHPMS Caldwell and Kebarle, 1984 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 27. ± 4.2 kJ/mol TDAs Caldwell and Kebarle, 1984 gas phase; B
+ =
By formula: H2 + C3H6O = C3H8O
Quantity Value Units Method Reference Comment
ΔrH° -68.74 ± 0.42 kJ/mol Cm
Wiberg, Crocker, et al., 1991
liquid phase; ALS
ΔrH° -55.23 kJ/mol EqkBuckley and Herington, 1965
gas phase; ALS
ΔrH° -55.40 ± 0.42 kJ/mol Chyd
Dolliver, Gresham, et al., 1938
gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -56.1 ± 0.4 kJ/mol; At 355 °K; ALS
+ = ( • )
By formula: Na+ + C3H8O = (Na+ • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 113. ± 4.2 kJ/mol CIDT Armentrout and Rodgers, 2000 RCD
ΔrH° 113. ± 4.6 kJ/mol CIDT Rodgers and Armentrout, 1999 RCD
Free energy of reaction
ΔrG° (kJ/mol) T (K) Method Reference Comment
85.4 298. IMRE McMahon and Ohanessian, 2000
Anchor alanine=39.89; RCD
0.0 0. CIDT Rodgers and Armentrout, 1999 RCD
( • 3 ) + = ( • 4 )
By formula: (Cl- • 3C3H8O) + C3H8O = (Cl- • 4C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 49.8 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 120. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 14. ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
( • 4 ) + = ( • 5 )
By formula: (Cl- • 4C3H8O) + C3H8O = (Cl- • 5C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 48.5 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 128. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 10. ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
( • 5 ) + = ( • 6 )
By formula: (Cl- • 5C3H8O) + C3H8O = (Cl- • 6C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 47.3 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 130. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 8.4 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
( • 6 ) + = ( • 7 )
By formula: (Cl- • 6C3H8O) + C3H8O = (Cl- • 7C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 46.4 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 131. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 7.1 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
+ = ( • )
By formula: CH3S- + C3H8O = (CH3S- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 71.55 ± 0.84 kJ/mol TDAs Sieck and Meot-ner, 1989 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 96.7 J/mol*K PHPMS Sieck and Meot-ner, 1989 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 42.7 ± 3.3 kJ/mol TDAs Sieck and Meot-ner, 1989 gas phase; B
+ = ( • )
By formula: Br- + C3H8O = (Br- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 60.25 ± 0.84 kJ/mol TDAs
Bogdanov, Peschke, et al., 1999
gas phase; B
Quantity Value Units Method Reference Comment
ΔrG° 38. ± 8.4 kJ/mol IMRE Tanabe, Morgon,
et al., 1996
gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B
+ = ( • )
By formula: C6H5S- + C3H8O = (C6H5S- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 62.76 ± 0.42 kJ/mol TDAs Sieck and Meot-ner, 1989 gas phase; B
Quantity Value Units Method Reference Comment
ΔrG° 30.5 ± 1.7 kJ/mol TDAs Sieck and Meot-ner, 1989 gas phase; B
+ =
By formula: C4H8 + C3H8O = C7H16O
Quantity Value Units Method Reference Comment
ΔrH° -22.9 ± 1.3 kJ/mol Eqk Calderon, Tejero, et al., 1997 liquid phase; ALS
ΔrH° -21.7 ± 1.6 kJ/mol Cm Sola, Pericas, et al., 1997 liquid phase; ALS
= +
By formula: C3H8O = H2 + C3H6O
Quantity Value Units Method Reference Comment
ΔrH° 55.23 kJ/mol Eqk Buckley and Herington, 1965 gas phase; ALS
ΔrH° 56.543 kJ/mol Eqk Kolb and Burwell, 1945 gas phase; ALS
+ = C3H7DFO-
By formula: F- + C3H8O = C3H7DFO-
Quantity Value Units Method Reference Comment
ΔrG° 102. ± 8.4 kJ/mol IMRE
Wilkinson, Szulejko, et al., 1992
gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B
+ = ( • )
By formula: Mg+ + C3H8O = (Mg+ • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 270. ± 20. kJ/mol ICR Operti, Tews,
et al., 1988
gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M
+ = +
By formula: C5H10O2 + H2O = C2H4O2 + C3H8O
Quantity Value Units Method Reference Comment
ΔrH° 2.3 ± 0.2 kJ/mol Cm Wadso, 1958 liquid phase; Heat of Hydrolysis; ALS
+ = C5H9Cl3O2
By formula: C3H8O + C2HCl3O = C5H9Cl3O2
Quantity Value Units Method Reference Comment
ΔrH° -41.6 kJ/mol Eqk Jensen and Pedersen, liquid phase; solvent:
1971 Heptane; ALS
+ = +
By formula: C6H12O + C3H6O = C6H10O + C3H8O
Quantity Value Units Method Reference Comment
ΔrH° 9.9 ± 1.9 kJ/mol Eqk Fedoseenko, Yursha, et al.,
1983gas phase; At 503 K; ALS
+ = C5H8Cl2F2O
By formula: C3H8O + C2Cl2F2 = C5H8Cl2F2O
Quantity Value Units Method Reference Comment
ΔrH° -183. ± 1. kJ/mol Eqk Kennedy, Lacher, et al., 1969 gas phase; ALS
+ 2 = C6H16FO2-
By formula: F- + 2C3H8O = C6H16FO2-
Quantity Value Units Method Reference Comment
ΔrH° 87.03 ± 0.84 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
+ 3 = C9H24FO3-
By formula: F- + 3C3H8O = C9H24FO3-
Quantity Value Units Method Reference Comment
ΔrH° 73.64 ± 0.84 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
+ 2 = C6H16IO2-
By formula: I- + 2C3H8O = C6H16IO2-
Quantity Value Units Method Reference Comment
ΔrH° 46.0 ± 1.3 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
+ 2 = C6H16BrO2-
By formula: Br- + 2C3H8O = C6H16BrO2-
Quantity Value Units Method Reference Comment
ΔrH° 51.46 ± 0.84 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
+ 3 = C9H24IO3-
By formula: I- + 3C3H8O = C9H24IO3-
Quantity Value Units Method Reference Comment
ΔrH° 39.7 ± 2.9 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
+ = +
By formula: C6H10O + C3H8O = C6H12O + C3H6O
Quantity Value Units Method Reference Comment
ΔrH° -9.9 ± 1.9 kJ/mol Eqk Kabo, Yursha, et al., 1988 gas phase; ALS
+ = +
By formula: C3H8O + HNO3 = C3H7NO3 + H2O
Quantity Value Units Method Reference Comment
ΔrH° -23.4 kJ/mol Eqk Rubtsov, 1986 liquid phase; ALS
+ =
By formula: C2H2O + C3H8O = C5H10O2
Quantity Value Units Method Reference Comment
ΔrH° -150.2 kJ/mol Cm Rice and Greenberg, 1934 liquid phase; ALS
+ = ( • )
By formula: Li+ + C3H8O = (Li+ • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 173. ± 7.9 kJ/mol CIDT Rodgers and Armentrout, 2000 RCD
Datos de energética de iones on fase gaseosaGo To: Top, Datos de fase gaseosa, Datos de fase condensada, Datos de cambio de fase, Datos termodinámicos de reacción, Datos de agregados iónicos, References, Notes / Error Report
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:HL - E.P. Hunter and S.G. LiasL - S.G. Lias
Data compiled as indicated in comments:B - J.E. BartmessLBLHLM - S.G. Lias, J.E. Bartmess, J.F. Liebman, J.L. Holmes, R.D. Levin, and W.G. MallardLLK - S.G. Lias, R.D. Levin, and S.A. KafafiRDSH - H.M. Rosenstock, K. Draxl, B.W. Steiner, and J.T. Herron
View reactions leading to C3H8O+ (ion structure unspecified)
Quantity Value Units Method Reference Comment
IE (evaluated) 10.17 ± 0.02 eV N/A N/A L
Quantity Value Units Method Reference Comment
Proton affinity (review) 793.0 kJ/mol N/A Hunter and Lias, 1998 HL
Quantity Value Units Method Reference Comment
Gas basicity (review) 762.6 kJ/mol N/A Hunter and Lias, 1998 HL
Ionization energy determinations
IE (eV) Method Reference Comment
10.15 ± 0.07 EI Bowen and Maccoll, 1984 LBLHLM
10.10 ± 0.02 PI Potapov and Sorokin, 1972 LLK
10.29 ± 0.02 PE Cocksey, Eland, et al., 1971 LLK
10.18 PE Dewar and Worley, 1969 RDSH
10.12 ± 0.03 PI Refaey and Chupka, 1968 RDSH
10.15 ± 0.05 PI Watanabe, 1957 RDSH
10.44 PE Benoit and Harrison, 1977 Vertical value; LLK
10.49 ± 0.03 PE Peel and Willett, 1975 Vertical value; LLK
10.42 PE Robin and Kuebler, 1973 Vertical value; LLK
10.36 PE Katsumata, Iwai, et al., 1973 Vertical value; LLK
10.42 PE Baker, Betteridge, et al., 1971 Vertical value; LLK
Appearance energy determinations
Ion AE (eV) Other Products Method Reference Comment
CH3+ 30.2 ± 0.2 ? EI Olmsted, Street, et al., 1964 RDSH
CH3O+ 12.5 ? EI Friedman, Long, et al., 1957 RDSH
C2H3+ 14.6 ? EI Friedman, Long, et al., 1957 RDSH
C2H4O+ 10.27 ± 0.09 CH4 EI Bowen and Maccoll, 1984 LBLHLM
C2H4O+ 10.26 CH4 EI Holmes, Burgers, et al., 1982 LBLHLM
C2H4O+ 10.23 ± 0.02 CH4 PI Potapov and Sorokin, 1972 LLK
C2H4O+ 10.27 ± 0.03 CH4 PI Refaey and Chupka, 1968 RDSH
C2H5O+ 10.20 ± 0.08 CH3 EI Bowen and Maccoll, 1984 LBLHLM
C2H5O+ 10.26 CH3 EI Lossing, 1977 LLK
C2H5O+ 10.40 ± 0.03 CH3 PI Potapov and Sorokin, 1972 LLK
C2H5O+ 10.70 CH3 EI Haney and Franklin, 1969 RDSH
C2H5O+ 10.40 CH3 PI Refaey and Chupka, 1968 RDSH
C3H6+ ~12.0 ± 0.9 H2O EI Bowen and Maccoll, 1984 LBLHLM
C3H6+ ~12.0 H2O PI Refaey and Chupka, 1968 RDSH
C3H7+ 11.6 OH PI Refaey and Chupka, 1968 RDSH
C3H7O+≤10.48 ±
0.08 H EI Bowen and Maccoll, 1984 LBLHLM
C3H7O+ ≤10.48 H EI Lossing, 1977 LLK
C3H7O+ 10.3 ± 0.5 H PI Potapov and Sorokin, 1972 LLK
C3H7O+ 10.6 H PI Refaey and Chupka, 1968 RDSH
C3H7O+ 11.85 H EI Lambdin, Tuffly, et al., 1959 RDSH
De-protonation reactions
C3H7O- + H+ =
By formula: C3H7O- + H+ = C3H8O
Quantity Value Units Method Reference Comment
ΔrH° 1569. ± 4.2 kJ/mol D-EA Ramond, Davico,
et al., 2000 gas phase; B
ΔrH° 1571. ± kJ/mol G+TS Bartmess, Scott, gas phase; value altered from
8.8 et al., 1979 reference due to change in acidity scale; B
ΔrH° 1576. ± 4.2 kJ/mol CIDT DeTuri and
Ervin, 1999 gas phase; B
ΔrH° 1572. ± 8.4 kJ/mol CIDC Haas and
Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
ΔrG° 1542. ± 4.6 kJ/mol H-TS Ramond, Davico,
et al., 2000 gas phase; B
ΔrG° 1543. ± 8.4 kJ/mol IMRE Bartmess, Scott,
et al., 1979
gas phase; value altered from reference due to change in acidity scale; B
ΔrG° 1544. ± 8.8 kJ/mol H-TS Haas and
Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Datos de agregados iónicosGo To: Top, Datos de fase gaseosa, Datos de fase condensada, Datos de cambio de fase, Datos termodinámicos de reacción, Datos de energética de iones on fase gaseosa, References, Notes / Error Report
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:B - J.E. BartmessM - M. M. Meot-Ner (Mautner) and S. G. LiasRCD - R.C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+ = ( • )
By formula: Br- + C3H8O = (Br- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 60.25 ± 0.84 kJ/mol TDAs
Bogdanov, Peschke, et al., 1999
gas phase; B
Quantity Value Units Method Reference Comment
ΔrG° 38. ± 8.4 kJ/mol IMRE Tanabe, Morgon,
et al., 1996
gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B
+ 2 = C6H16BrO2-
By formula: Br- + 2C3H8O = C6H16BrO2-
Quantity Value Units Method Reference Comment
ΔrH° 51.46 ± 0.84 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
+ = ( • )
By formula: CH3S- + C3H8O = (CH3S- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 71.55 ± 0.84 kJ/mol TDAs Sieck and Meot-ner, 1989 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 96.7 J/mol*K PHPMS Sieck and Meot-ner, 1989 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 42.7 ± 3.3 kJ/mol TDAs Sieck and Meot-ner, 1989 gas phase; B
CN- + = (CN- • )
By formula: CN- + C3H8O = (CN- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 69.9 ± 3.3 kJ/mol TDAs
Larson, Szulejko, et al., 1988
gas phase; B,M
ΔrH° 76. ± 15. kJ/mol IMRE
Larson and McMahon, 1987
gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 110. J/mol*K PHPMSLarson, Szulejko, et al., 1988
gas phase; M
ΔrS° 104. J/mol*K N/ALarson and McMahon, 1987
gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
ΔrG° 37.7 ± 0.84 kJ/mol TDAs
Larson, Szulejko, et al., 1988
gas phase; B
ΔrG° 44.8 ± 9.6 kJ/mol IMRE
Larson and McMahon, 1987
gas phase; B,M
C2H7O+ + = (C2H7O+ • )
By formula: C2H7O+ + C3H8O = (C2H7O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity Value Units Method Reference Comment
ΔrH° 133. kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS° 124. J/mol*K N/A Bomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or
estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG° 96.7 kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
C3H9O+ + = (C3H9O+ • )
By formula: C3H9O+ + C3H8O = (C3H9O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity Value Units Method Reference Comment
ΔrH° 133. kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS° 124. J/mol*K N/ABomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG° 96.7 kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
C3H9Si+ + = (C3H9Si+ • )
By formula: C3H9Si+ + C3H8O = (C3H9Si+ • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 184. kJ/mol PHPMSWojtyniak and Stone, 1986
gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS° 129. J/mol*K N/AWojtyniak and Stone, 1986
gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Free energy of reaction
ΔrG° (kJ/mol)
T (K) Method Reference Comment
123. 468. PHPMS Wojtyniak and Stone, 1986
gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
C4H11O+ + = (C4H11O+ • )
By formula: C4H11O+ + C3H8O = (C4H11O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity Value Units Method Reference Comment
ΔrH° 128. kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS° 118. J/mol*K N/ABomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG° 92.5 kJ/mol ICR Bomse and gas phase; switching
Beauchamp, 1981
reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
C4H11O+ + = (C4H11O+ • )
By formula: C4H11O+ + C3H8O = (C4H11O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity Value Units Method Reference Comment
ΔrH° 134. kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS° 115. J/mol*K N/ABomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG° 99.6 kJ/mol ICRBomse and Beauchamp, 1981
gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
+ = ( • )
By formula: C6H5S- + C3H8O = (C6H5S- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 62.76 ± 0.42 kJ/mol TDAs Sieck and Meot-ner, 1989 gas phase; B
Quantity Value Units Method Reference Comment
ΔrG° 30.5 ± 1.7 kJ/mol TDAs Sieck and Meot-ner, 1989 gas phase; B
+ = ( • )
By formula: Cl- + C3H8O = (Cl- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 81.17 ± 0.84 kJ/mol TDAs
Bogdanov, Peschke, et al., 1999
gas phase; B
ΔrH° 76.6 ± 4.2 kJ/mol TDAs Hiraoka and
Mizuse, 1987 gas phase; B,M
ΔrH° 73.6 ± 8.4 kJ/mol IMRE
Larson and McMahon, 1984
gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 103. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
ΔrS° 97.1 J/mol*K N/ALarson and McMahon, 1984
gas phase; switching reaction(cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
ΔrG° 45.6 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
ΔrG° 44.8 ± 8.4 kJ/mol IMRE
Larson and McMahon, 1984
gas phase; B,M
( • ) + = ( • 2 )
By formula: (Cl- • C3H8O) + C3H8O = (Cl- • 2C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 69.9 ± 1.3 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
ΔrH° 65.3 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 105. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 34. ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
( • 2 ) + = ( • 3 )
By formula: (Cl- • 2C3H8O) + C3H8O = (Cl- • 3C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 62.3 ± 2.1 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
ΔrH° 52.3 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 109. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 20. ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
( • 3 ) + = ( • 4 )
By formula: (Cl- • 3C3H8O) + C3H8O = (Cl- • 4C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 49.8 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 120. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 14. ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
( • 4 ) + = ( • 5 )
By formula: (Cl- • 4C3H8O) + C3H8O = (Cl- • 5C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 48.5 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 128. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 10. ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
( • 5 ) + = ( • 6 )
By formula: (Cl- • 5C3H8O) + C3H8O = (Cl- • 6C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 47.3 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 130. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 8.4 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
( • 6 ) + = ( • 7 )
By formula: (Cl- • 6C3H8O) + C3H8O = (Cl- • 7C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 46.4 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 131. J/mol*K PHPMS Hiraoka and Mizuse, 1987 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 7.1 ± 4.2 kJ/mol TDAs Hiraoka and Mizuse, 1987 gas phase; B
( • 7 ) + = ( • 8 )
By formula: (Cl- • 7C3H8O) + C3H8O = (Cl- • 8C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 45.6 ± 4.2 kJ/mol TDAs Hiraoka and
Mizuse, 1987
gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
ΔrS° 130. J/mol*K N/A Hiraoka and Mizuse, 1987
gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG° 6.7 ± 4.2 kJ/mol TDAs Hiraoka and
Mizuse, 1987
gas phase; Estimated entropy; single temperature measurement; B
+ = C3H7DFO-
By formula: F- + C3H8O = C3H7DFO-
Quantity Value Units Method Reference Comment
ΔrG° 102. ± 8.4 kJ/mol IMRE
Wilkinson, Szulejko, et al., 1992
gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B
+ = ( • )
By formula: F- + C3H8O = (F- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 140.2 ± 2.9 kJ/mol TDAs
Bogdanov, Peschke, et al., 1999
gas phase; B
ΔrH° 135. ± 8.4 kJ/mol IMRE
Larson and McMahon, 1983
gas phase; B,M
ΔrH° 139. ± 9.2 kJ/mol CIDT DeTuri and
Ervin, 1999 gas phase; B
Quantity Value Units Method Reference Comment
ΔrS° 107. J/mol*K N/ALarson and McMahon, 1983
gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
ΔrG° 103. ± 8.4 kJ/mol IMRE
Larson and McMahon, 1983
gas phase; B,M
+ 2 = C6H16FO2-
By formula: F- + 2C3H8O = C6H16FO2-
Quantity Value Units Method Reference Comment
ΔrH° 87.03 ± 0.84 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
+ 3 = C9H24FO3-
By formula: F- + 3C3H8O = C9H24FO3-
Quantity Value Units Method Reference Comment
ΔrH° 73.64 ± 0.84 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
+ = ( • )
By formula: I- + C3H8O = (I- • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 54.81 ± 0.84 kJ/mol TDAs Bogdanov, Peschke, et al.,
1999 gas phase; B
ΔrH° 51.0 ± 4.2 kJ/mol TDAs Caldwell and Kebarle, 1984 gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS° 79.9 J/mol*K PHPMS Caldwell and Kebarle, 1984 gas phase; M
Quantity Value Units Method Reference Comment
ΔrG° 27. ± 4.2 kJ/mol TDAs Caldwell and Kebarle, 1984 gas phase; B
+ 2 = C6H16IO2-
By formula: I- + 2C3H8O = C6H16IO2-
Quantity Value Units Method Reference Comment
ΔrH° 46.0 ± 1.3 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
+ 3 = C9H24IO3-
By formula: I- + 3C3H8O = C9H24IO3-
Quantity Value Units Method Reference Comment
ΔrH° 39.7 ± 2.9 kJ/mol TDAs Bogdanov, Peschke, et al., 1999 gas phase; B
+ = ( • )
By formula: Li+ + C3H8O = (Li+ • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 173. ± 7.9 kJ/mol CIDT Rodgers and Armentrout, 2000 RCD
+ = ( • )
By formula: Mg+ + C3H8O = (Mg+ • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 270. ± 20. kJ/mol ICR Operti, Tews,
et al., 1988
gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M
+ = ( • )
By formula: Na+ + C3H8O = (Na+ • C3H8O)
Quantity Value Units Method Reference Comment
ΔrH° 113. ± 4.2 kJ/mol CIDT Armentrout and Rodgers, 2000 RCD
ΔrH° 113. ± 4.6 kJ/mol CIDT Rodgers and Armentrout, 1999 RCD
Free energy of reaction
ΔrG° (kJ/mol) T (K) Method Reference Comment
85.4 298. IMRE McMahon and Ohanessian, 2000
Anchor alanine=39.89; RCD
0.0 0. CIDT Rodgers and Armentrout, 1999 RCD
References
Go To: Top, Datos de fase gaseosa, Datos de fase condensada, Datos de cambio de fase, Datos termodinámicos de reacción, Datos de energética de iones on fase gaseosa, Datos de agregados iónicos, Notes / Error Report
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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