TransFurans Chemicals

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O CHO 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
PHYSICAL PROPERTIES 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, n
D
20C
25C

1.5261
1.5235
Density, d
4
at 20C, g/cm
3
1.1598
Vapor density (air=1) 3.3
Critical pressure, P
c
, MPa 5.502
Critical temperature, T
c
, 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 THERMODYNAMIC PROPERTIES:
1.4 ELECTRICAL PROPERTIES:
1.5 FLAMMABILITY PROPERTIES:

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2. PHYSICAL PROPERTIES IN DETAIL:
2.1 VAPOR PRESSURE:
p
i
= 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)
V
a
p
o
r

p
r
e
s
s
u
r
e

(
P
a
)
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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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)
T
h
e
r
m
a
l

c
o
n
d
u
c
t
i
v
i
t
y

(

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.T
b
)/(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)
T
h
e
r
m
a
l

c
o
n
d
u
c
t
i
v
i
t
y

(

W
/
m
.
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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= a.(1 - T
r
)
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)
S
u
r
f
a
c
e

t
e
n
s
i
o
n

(
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 = -69,008
b = 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)
V
i
s
c
o
s
i
t
y

(
P
a
.
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.T
b
)/(1 + c/T)
a = 1,7834e-7
b = 0,7524
c = 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)
V
i
s
c
o
s
i
t
y

(

P
a
.
s
)
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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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)
C
p

(

J
/
m
o
l
.
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)

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)
C
p

(

J
/
m
o
l
.
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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H
vap
= a.(1- Tr)
b
a = 59610
b = 0,3126
( H
vap
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)
E
n
t
h
a
l
p
y

o
f

v
a
p
o
r
i
z
a
t
i
o
n

(
J
/
m
o
l
)
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

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
T
e
m
p
e
r
a
t
u
r
e

(

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
m
o
l
e

f
r
a
c
t
i
o
n

F
u
r
f
u
r
a
l

i
n

v
a
p
o
r
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
T
e
m
p
e
r
a
t
u
r
e

(

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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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 1
e
version 12/22/2000