=================================== Ethanol ====================================

Record Number:
Ethanol.txt

CAS Number:
64-17-5

Chemical Abstracts Name:
Ethanol

Family:


Empirical Formula:
C2H6O

IUPAC Name:
Ethanol

Common Name:
Ethanol

Structure:
C2H6O

Other Names:
Ethyl alcohol







---------------- Constant Values -----------------

Molecular Weight, kg/kmol
46.069
Experimental
Unknown
1
2

Lower Flammability Limit Temperature, K
284.156
Predicted
Unknown

3

Upper Flammability Limit Temperature, K
314.539
Predicted
Unknown

3

Critical Compressibility Factor
0.24
Experimental
Unknown
4
2

Acentric Factor
0.644
Experimental
Unknown
4
2

van der Waals Reduced Volume, m^3/kmol






van der Waals Area, m^2/kmol






Gibbs Energy of Formation of Ideal Gas at 298.15 K and 101325 Pa, J/kmol
-1.5645e+08
Predicted
Unknown
5
2

Gibbs Energy of Formation in Standard State at 298.15 K and 101325 Pa, J/kmol
-1.74482e+08
Predicted
Unknown
6
2

Radius of Gyration, m
2.259e-10
Experimental
Unknown
1
2

Solubility Parameter at 298.15 K, (J/m^3)^(1/2)
26100
Experimental
Unknown
7
2

Dipole Moment, c*m
5.63723e-30
Experimental
Unknown
8
2

Refractive Index at 298.15 K


Unknown



Critical Temperature, K
513.92
Experimental
Unknown
4
2

Melting Point (1 atm), K
159.05
Experimental
Unknown
1
2

Normal Boiling Point (1 atm), K
351.44
Experimental
Unknown
1
2

Enthalpy of Formation of Ideal gas at 298.15 K and 101325 Pa, J/kmol
-2.353e+08
Experimental
Unknown
9
2

Critical Pressure, Pa
6.137e+06
Experimental
Unknown
4
2

Absolute Entropy of Ideal Gas at 298.15 K and 101325 Pa, J/kmol*K
282590
Experimental
Unknown
9
2

Enthalpy of Fusion at Melting Point, J/kmol
4.931e+06
Experimental
Unknown
10
2

Critical Volume, m^3/kmol
0.167
Experimental
Unknown
4
2

Net Enthalpy of Combustion Standard State (298.15)K), J/kmol
-1.36758e+09
Experimental
< 1%
11
2

Liquid Molar Volume at 298.15 K, m^3/kmol
0.0587584
Predicted
Unknown

12

Dielectric Constant






Flash Point, K
286.15
Experimental
Unknown
13
2

Lower Flammability Limit, vol % in air
3.3
Experimental
Unknown
14
3

Upper Flammability Limit, vol % in air
19
Experimental
Unknown
14
3

Auto Ignition Termperature, K
635.928
Experimental
Unknown
14
2

Enthalpy of Formation in Standard State at 298.15 K and 101325 Pa, J/kmol
-2.776e+08
Experimental
Unknown
9
2

Absolute Entropy in Standard State at 298.15 K and 101325 Pa, J/kmol*K
159860
Experimental
Unknown
9
2

Triple Point Temperature, K






Triple Point Pressure, Pa






Enthalpy or Heat of Sublimation, J/kmol
5.11422e+07
Predicted
Unknown
15
2

---------- Temperature Dependent Values ----------

Heat of Vaporization, J/kmol
16
106
4.54452e+07
-0.312638
0.653544
0
0
0
159.05
472.806
Predicted
Unknown

Ideal Gas Heat Capacity, J/kmol*K
16
107
89899.1
56325.2
2633
1.3039e+07
-3392.18
0
159.05
1500
Experimental
Unknown

Liquid heat Capacity (at 1 atm below normal boiling point, saturation pressure at and above), J/kmol*K
17
100
94560
-56.2
-0.329
0.002398
4.91302e-20
0
159.05
351.44
Predicted
Unknown

Liquid Density (at 1 atm below normal boiling point, saturation pressure at and above), kmol/m^3
16
105
1.90262
0.285266
1229.84
1.05149
0
0
159.05
351.44
Experimental
Unknown

Liquid Thermal Conductivity (at 1 atm below normal boiling point, saturation pressure at and above), W/m*K
16
100
-0.165287
0.00656893
-3.73381e-05
8.21689e-08
-6.18106e-11
0
159.05
351.44
Predicted
Unknown

Absolute Liquid Viscosity (at 1 atm below normal boiling point, saturation pressure at and above), Pa*s
16
101
-222.289
8488.52
33.7767
-6.13053e-05
0
0
159.05
351.44
Experimental
Unknown

Solid Heat Capacity, J/kmol*K
17
100
8441.08
513.942
-2.56767
0.00995234
-1.5082e-05
0
109.05
159.05
Predicted
Unknown

Solid Density, kmol/m^3
2
100
0
0
0
0
0
0



Unknown

Surface Tension (at 1 atm below normal boiling point, saturation pressure at and above), N/m
16
106
0.0222828
-1.09254
1.90925
0
0
0
159.05
351.44
Experimental
Unknown

Solid Thermal Conductivity, W/m*K
2
100
0
0
0
0
0
0



Unknown

Solid Vapor Pressure, Pa
17
101
614.888
-20891.2
-99.8574
0.000437258
0
0
109.05
159.05
Predicted
Unknown

Second Virial Coefficient, m^3/kmol
2
100
0
0
0
0
0
0



Unknown

Liquid Vapor Pressure, Pa
16
101
65.3114
-6848.5
-5.87305
1.04803e-06
0
0
159.05
472.806
Experimental
Unknown

Vapor Thermal Conductivity (at 1 atm or below), W/m*K
17
102
75.8414
0.660859
5.80295e+07
1.75373e+09
0
0
351.44
713.92
Predicted
Unknown

Vapor Viscosity (at 1 atm or below), Pa*s
16
102
4.61123e-06
0.337282
848.872
-25957.9
0
0
351.44
713.92
Predicted
Unknown

Notes

1
T.E. Daubert and R.P. Danner. "Physical and Thermodynamic Properties of Pure Chemicals." Hemisphere Publishing Corporation. Washington, DC, USA. Year 1992.

2
Generated by MKSTest on Apr 09, 2020 at 18:31:10.

3
WARNING:  FLAMMABILITY LIMITS ARE DETERMINED AT 298 K AND 1 ATMOSPHERE.  HIGHER TEMPERATURES AND/OR HIGHER PRESSURES WILL LOWER THE LOWER LIMIT AND RAISE THE UPPER LIMIT.

4
D. Ambrose. "Vapour-Liquid Critical Properties." National Physical Laboratory. Great Britain. Number Chem 107, 1980.

5
Estimated using Joback Method [MKS] for the Gibbs Energy of Formation, Vapor at 298K.  Referenced in: Kevin G. Joback and Robert C. Reid. "Estimation of Pure-Component Properties from Group-Contributions." Chemical Engineering Communications. Volume 57, page 233-243, 1987.

6
Estimated using Definition [MKS] for the Gibbs Energy of Formation, Liquid at 298K.  Referenced in: Molecular Knowledge Systems, Inc. "MKS Internal Calculation or Derivation." .

7
Allan F. M. Barton. "Handbook of Solubility Parameters and Other Cohesion Parameters." CRC Press. Boca Raton, Florida, USA. Edition 2, 1991.

8
Ralph D. Nelson, Jr., David R. Lide, Jr. and Arthur A. Maryott. "Selected Values of Electric Dipole Moments for Molecules in the Gas Phase." US Government Printing Office. Washington, DC, USA. Number 10, 1967.

9
Eugene S. Domalski and Elizabeth D. Hearing. "Estimation of the Thermodynamic Properties of C-H-N-O-S-Halogen Compounds at 298.15." Journal of Physical and Chemical Reference Data. Volume 22, number 4, page 805-1159, 1993.

10
Eugene S. Domalski and Elizabeth D. Hearing. "Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III." Journal of Physical and Chemical Reference Data. Volume 25, number 1, page 1-523, 1996.

11
Jing Chao and Frederick D. Rossini. "Heats of Combustion, Formation, and Isomerization of Nineteen Alkanols." Journal of Chemical and Engineering Data. Volume 10, number 4, page 374-379, 1965.

12
The volume value was calculated from the parameters regressed for the liquid density.

13
Horng-Jang Liaw, Vincent Gerbaud and Yi-Hua Li. "Prediction of Miscible Mixtures Flash-Point from UNIFAC Group Contribution Methods." Fluid Phase Equilibria. Volume 300, number 1-2, page 70-82, 2011.

14
Amy B. Spencer and Guy R. Colonna. "Fire Protection Guide to Hazardous Materials." National Fire Protection Association. Quincy, Massachusetts, USA. Edition 13, 2002.

15
Estimated using Goodman + Wilding + Oscarson + Rowley Method [MKS] for the Enthalpy of Sublimation at Tm.  Referenced in: B. T. Goodman, W. V. Wilding, J. L. Oscarson and R. L. Rowley. "Use of the DIPPR Database for the Development of QSPR Correlations: Solid Vapor Pressure and Heat of Sublimation of Organic Compounds." International Journal of Thermophysics. Volume 25, number 2, page 337-350, 2004.

16
Parameters regressed from database data.

17
Parameters regressed from new estimates.