Physical Properties of Furfural

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    TransFurans Chemicals 1

    O CHOO CHO

    TABLE OF CONTENTS

    1. Overview: 2

    1.1. General Properties 2

    1.2 Thermodynamic Properties 3

    1.3 Fluid Properties 3

    1.4 Electrical Properties 3

    1.5 Flammability Properties 3

    2. Physical properties in detail: 4

    2.1. Vapor Pressure 4

    2.2. Thermal Conductivity 5

    - Liquid

    - Vapor

    2.3. Surface Tension 7

    2.4. Viscosity 8

    - Liquid- Vapor

    2.5. Heat Capacity at constant pressure 10

    - Liquid

    - Vapor

    2.6. Enthalpy of Vaporization 12

    2.7. Furfural-Water 13

    - Solution-Temperature diagram

    - Vapor-Liquid composition- Vapor-Liquid equilibrium

    PHYSICALPROPERTIES OF FURFURAL

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    1. OVERVIEW:

    Molecular weight 96.08

    Boiling point at 101.3 kPa (1 atm), C 161.7

    Freezing point, C -36.5

    Refractive index, nD

    20C

    25C

    1.5261

    1.5235

    Density, d4at 20C, g/cm3 1.1598

    Vapor density (air=1) 3.3

    Critical pressure, Pc, MPa 5.502

    Critical temperature, Tc, C 397

    Solubility in, wt%

    water 8.3

    alcohol; ether

    1.1 GENERAL PROPERTIES:

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    Heat of vaporization (liq), kJ/mol 42.8

    Heat capacity (liq), J/(g.K)

    20-100C 1.74

    Heat of combustion (liq), kJ/mol 2344

    Enthalpy of formation, kJ/mol -151

    Viscosity, mPa.s, 25C 1.49

    Surface tension, mN/m (=dyn/cm)

    29.9C 40.7

    Dielectric constant 20C 41.9

    Explosion limits (in air), vol% 2.1-19.3

    Flash point, C, tag closed cup 61.7

    Auto ignition temperature, C 315

    1.3 FLUID PROPERTIES:

    1.2 THERMODYNAMICPROPERTIES:

    1.4 ELECTRICAL PROPERTIES:

    1.5 FLAMMABILITY PROPERTIES:

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    2. PHYSICAL PROPERTIES IN DETAIL:

    2.1 VAPOR PRESSURE:

    pi= exp(a + b/T + c.ln(T) + d.T

    2

    )a= 78,653

    b= -8043

    c= -8,1424

    d = 4,509e-6

    (p i in Pa; T in K)

    1

    10

    100

    1000

    10000

    100000

    1000000

    10000000

    200 250 300 350 400 450 500 550 600 650 700

    Temperature (K)

    Vaporpressure(Pa)

    Experimental data from Riddick, J.A., Bunger, W.B., "Organic Solvents: Physical Properties and methods of

    purification," 3rd ed. Wiley Interscience, New York (1970)

    Experimental data from Kirk-Othmer, " Encyclopedia of Chemical Technology," 3rd ed., Interscience, New York

    (1978)

    Experimental data from Matthews, J.B., Sumner, J.F., Moelwyn-Hughes, E.A., "The vapor Pressures of CertainLiquids,' Trans. Faraday Soc. 46, 797 (1950).

    Predicted data from Othmer, D.F., Yu, E. "Correlating Vapor pressures an Vapor Volumes,' Ind.Eng. Chem. 60,22

    (1968)

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    Liquid

    = a + b.T

    a = 0,2295

    b = -1,936e-4

    ( in W/m.K ; T in K)

    0,16

    0,162

    0,164

    0,166

    0,168

    0,17

    0,172

    0,174

    290 300 310 320 330 340 350 360

    Temperature (K)

    Thermalconductivity(W/m.K)

    Experimental data from Geller, Z.I., Rastroguev, Yu.L., Ganiev, Yu.A., "Thermal Conductivity of Selected solvents,"

    Izv. Vyssh. Ucheb. Zaved., Neft Gaz 8(6), 79 (1965)

    2.2 THERMAL CONDUCTIVITY:

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    Vapor

    = (a.Tb)/(1 + c/T + d/T

    2)

    a= 8,3221e-3

    b=0,4228

    c= 637,87

    d= 5,502e5

    ( in W/m.K ; T in K)

    0

    0,01

    0,02

    0,03

    0,04

    0,05

    0,06

    0,07

    0,08

    400 500 600 700 800 900 1000 1100

    Temperature (K)

    Thermalconductivity(W/m.K)

    Predicted data from Stiel, L.I., Thodos, G.,"The thermal conductivity of nonpolar substances in the dense gaseous and liquidregions," AIChe J. 10, 266 (1964)

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    = a.(1 - Tr)b

    a =0,08429

    b = 1,1124

    ( in N/m ; T in K)

    0

    0,005

    0,01

    0,015

    0,02

    0,025

    0,03

    0,035

    0,04

    0,045

    0,05

    250 270 290 310 330 350 370 390 410 430 450

    Temperature (K)

    Surfac

    etension(N/m)

    Data from Jasper, J.J., "The surface Tension of Pure Liquid compounds,"J. Phys. Chem. Ref. Data 1(4), 841 (1972)

    Data from International Critical Tables of Numerical Data, Physics, Chemistry, and Technology ( 7 vols. + Index),

    edited by E.W. Washburn, McGraw-Hill, New York (1926-1933)

    Data from Murphy, N.F., Lastovica, J.E., Fallis, J.G., "Correlation of Interfacial Tension of Two-Phase, Three-

    Component Systems," Ind. Eng. Cehm. 49(6), 1035 (1957)

    2.3 SURFACE TENSION:

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    2.4 VISCOSITY:

    Liquid

    = exp(a + b/T + c.ln(T))

    a= -69,008b= 3950,4

    c = 8,655

    ( m in Pa.s ; T in K)

    0

    0,0005

    0,001

    0,0015

    0,002

    0,0025

    0,003

    250 270 290 310 330 350 370 390 410 430

    Temperature (K)

    Viscosity(Pa.s

    )

    Experimental data from Riddick, J.A., Bunger, W;B., "Organic Solvents : Physical Properties and Methods of purification,

    "3rd ed., Wiley Interscience, New york (1970)

    Predicted data from Gallant, R.W., "Physical Properties of Hydrocarbons," Gulf Publishing Co?, Houston, Texas (Vol.1,1968;

    Vol.2 1970)

    Experimental data from Kirk-Othmer, "Encyclopedia of Chemical Technology," 3rd ed., Interscience, New york (1978)

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    Vapor

    = (a.Tb)/(1 + c/T)

    a= 1,7834e-7

    b= 0,7524c= 231,09

    ( in Pa.s ; T in K)

    0

    0,000005

    0,00001

    0,000015

    0,00002

    0,000025

    0,00003

    400 500 600 700 800 900 1000 1100

    Temperature (K)

    Viscosity(Pa.s

    )

    Predicted data from Chapman, S., Cowling, T.G., "The Mathematical Theory of Non-uniform gases," Cambridge UniversityPress, Cambridge, England (1952) and Stiel, L.T., Thodos, G., "Force Constants for Polar Substances : their prediction from

    critical Prope

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    Liquid

    cp = a + b.T

    a = 73,9

    b = 0,2994

    (cp in J/mol.K ; T in K)

    100

    120

    140

    160

    180

    200

    220

    200 250 300 350 400 450

    Temperature (K)

    Cp(J/m

    ol.K)

    Predicted data from Lee, B.I., Kesler, M.G., " A generalised Thermodynamic Correlation Based on ThreeParameter Corresponding States," AIChe J. 21(3), 510 (1975)

    2.5 HEAT CAPACITY AT CONSTANT PRESSURE:

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    Vapor

    cp = a + b.((c/T)/sinh(c/T))2+ d.((e/T)/cosh(e/T))

    2

    a= 47,3

    b= 198,3

    c= 1040,6

    d= 109

    e= 472,6

    (cp in J/mol.K ; T in K)

    0

    50

    100

    150

    200

    250

    0 200 400 600 800 1000 1200 1400 1600

    Temperature (K)

    Cp(J/mol.K)

    Predicted data from Kudchadker, S.A. Kudchadker, A.P., "Thermodynamic Properties of OxygenCompounds. III. Benzaldehyde and Furfural (2-Furaldehyde)," Thermochim. Acta 12,432 (1975)

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    TransFurans Chemicals 12

    Hvap = a.(1- Tr)b

    a = 59610

    b = 0,3126

    (Hvap in J/mol ; T in K)

    0

    10000

    20000

    30000

    40000

    50000

    60000

    200 250 300 350 400 450 500 550 600 650

    Temperature (K)

    Enthalpyofvaporization(J/mol)

    Data from Riddick, J.A., Bunger, W;B. "Organic solvents : Physical Properties an Methods ofpurification," 3rd ed., wiley Interscience, New York (1970)

    Data calculated from the Clapeyron Equation

    2.6 ENTHALPY OF VAPORIZATION:

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    Furfural-Water

    Solution-Temperature Diagram

    0

    20

    40

    60

    80

    100

    120

    140

    0 10 20 30 40 50 60 70 80 90 100

    wt% Furfural

    Temperature(C)

    Data from Mains, G.H., Chem. & Met. Eng.,26,779 (1922)

    Data from Evans, W.V. and Aylesworth, M.B., Ind.Eng.Chem. 18,24 (1926)

    2.7 FURFURAL-WATER:

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    Furfural-Water

    Vapor-liquid composition

    0

    0,1

    0,2

    0,3

    0,4

    0,5

    0,6

    0,7

    0,8

    0,9

    1

    0 0,1 0,2 0,3 0,4 0,5 0,6 0,7 0,8 0,9 1

    mole fraction Furfural in liquid

    molefractionFurfuralinvapo

    Based on data from Mains, G.H., Chem. & Met. Eng.,26,779 (1922)

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    Furfural-Water

    Vapor-liquid equilibrium

    0

    20

    40

    60

    80

    100

    120

    140

    160

    180

    0 10 20 30 40 50 60 70 80 90 100

    wt % Furfural

    Temperature(C)

    Based on data from Mains, G.H., Chem. & Met. Eng.,26,779 (1922)

    97,5

    98

    98,5

    99

    99,5

    100

    100,5

    0 10 20 30 40

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    TransFurans Chemicals 16

    The data contained herein are based on information currently available to us and believed to be

    factual and the opinions expressed to be those of qualified experts; however, these data are not

    to be taken as a warranty of representation for which TransFurans Chemicals assumes legal

    responsibility.

    Physical Properties of Furfural 1eversion 12/22/2000