PHYSICAL PROPERTIES OF FURFURAL

O 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

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 1. OVERVIEW:

1.1 GENERAL PROPERTIES:

Molecular weight 96.08

Boiling point at 101.3 kPa (1 atm), °C 161.7
Freezing point, °C -36.5
Refractive index, nD
20°C 1.5261
25°C 1.5235
3
Density, d4 at 20°C, g/cm 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 ∞

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 1.2 THERMODYNAMIC PROPERTIES:

Heat of vaporization (liq), kJ/mol 42.8

Heat capacity (liq), J/(g.K)
20-100°C 1.74
Heat of combustion (liq), kJ/mol 2344
Enthalpy of formation, kJ/mol -151

1.3 FLUID PROPERTIES:

Viscosity, mPa.s, 25°C 1.49

Surface tension, mN/m (=dyn/cm)
29.9°C 40.7

1.4 ELECTRICAL PROPERTIES:

Dielectric constant 20°C 41.9

1.5 FLAMMABILITY PROPERTIES:

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

Flash point, °C, tag closed cup 61.7
Auto ignition temperature, °C 315

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2. PHYSICAL PROPERTIES IN DETAIL:
2.1 VAPOR PRESSURE:

pi = exp(a + b/T + c.ln(T) + d.T2)

a = 78,653
b = -8043
c = -8,1424
d = 4,509e-6
(p i in Pa; T in K)

10000000

1000000

100000
Vapor pressure (Pa)

10000

1000

100

10

1
200 250 300 350 400 450 500 550 600 650 700

Temperature (K)

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 Certain
Liquids,' 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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 2.2 THERMAL CONDUCTIVITY:

Liquid
λ = a + b.T
a = 0,2295
b = -1,936e-4
( λ in W/m.K ; T in K)

0,174

0,172

0,17
Thermal conductivity ( W/m.K)

0,168

0,166

0,164

0,162

0,16
290 300 310 320 330 340 350 360
Temperature (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)

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 Vapor
λ
b
= (a.T )/(1 + c/T + d/T2)
a = 8,3221e-3
b =0,4228
c = 637,87
d = 5,502e5
( λ in W/m.K ; T in K)

0,08

0,07

0,06
Thermal conductivity ( W/m.K)

0,05

0,04

0,03

0,02

0,01

0
400 500 600 700 800 900 1000 1100
Temperature (K)

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

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 2.3 SURFACE TENSION:

σ = a.(1 - T r )
b

a =0,08429
b = 1,1124
( σ in N/m ; T in K)

0,05

0,045

0,04

0,035
Surface tension (N/m)

0,03

0,025

0,02

0,015

0,01

0,005

0
250 270 290 310 330 350 370 390 410 430 450

Temperature (K)

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)

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 2.4 VISCOSITY:

Liquid
µ = exp(a + b/T + c.ln(T))
a = -69,008
b = 3950,4
c = 8,655
( m in Pa.s ; T in K)
0,003

0,0025

0,002
Viscosity (Pa.s)

0,0015

0,001

0,0005

0
250 270 290 310 330 350 370 390 410 430

Temperature (K)
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
b
µ = (a.T )/(1 + c/T)
a = 1,7834e-7
b = 0,7524
c = 231,09
( µ in Pa.s ; T in K)

0,00003

0,000025

0,00002
Viscosity ( Pa.s)

0,000015

0,00001

0,000005

0
400 500 600 700 800 900 1000 1100
Temperature (K)

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

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 2.5 HEAT CAPACITY AT CONSTANT PRESSURE:

Liquid
cp = a + b.T
a = 73,9
b = 0,2994
(cp in J/mol.K ; T in K)

220

200

180
Cp ( J/mol.K)

160

140

120

100
200 250 300 350 400 450
Temperature (K)

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

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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)

250

200

150
Cp ( J/mol.K)

100

50

0
0 200 400 600 800 1000 1200 1400 1600
Temperature (K)

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

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 2.6 ENTHALPY OF VAPORIZATION:

b
∆ H vap = a.(1- Tr)
a = 59610
b = 0,3126
( ∆ H vap in J/mol ; T in K)

60000

50000
Enthalpy of vaporization (J/mol)

40000

30000

20000

10000

0
200 250 300 350 400 450 500 550 600 650
Temperature (K)

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

Data calculated from the Clapeyron Equation

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 2.7 FURFURAL-WATER:

Furfural-Water
Solution-Temperature Diagram

140

120

100
Temperature (°C)

80

60

40

20

0
0 10 20 30 40 50 60 70 80 90 100
wt% Furfural

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)

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 Furfural-Water
Vapor-liquid composition

0,9

0,8

0,7
mole fraction Furfural in vapor

0,6

0,5

0,4

0,3

0,2

0,1

0
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

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

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 Furfural-Water
Vapor-liquid equilibrium

180

100,5
100
160
99,5
99
98,5
140 98
97,5
0 10 20 30 40

120
Temperature ( °C)

100

80

60

40

20

0
0 10 20 30 40 50 60 70 80 90 100
wt % Furfural

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

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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 1e version 12/22/2000

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