================================ Ethyl acetate =================================

Record Number:
EthylAcetate.txt

CAS Number:
141-78-6

Chemical Abstracts Name:
Ethyl acetate

Family:


Empirical Formula:
C4H8O2

IUPAC Name:
Ethyl acetate

Common Name:
Ethyl acetate

Structure:
C4H8O2

Other Names:
Acetic acid, ethyl ester
Acetic ether
Ethyl ethanoate
FEMA Number: 2414
Flavis Number: 9.001



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

Molecular Weight, kg/kmol
88.1051
Experimental
Unknown
1
2

Lower Flammability Limit Temperature, K
265.483
Predicted
Unknown

3

Upper Flammability Limit Temperature, K
296.529
Predicted
Unknown

3

Critical Compressibility Factor
0.252
Experimental
Unknown
4
2

Acentric Factor
0.362
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
-3.1316e+08
Predicted
Unknown
5
2

Gibbs Energy of Formation in Standard State at 298.15 K and 101325 Pa, J/kmol
-3.33508e+08
Predicted
Unknown
6
2

Radius of Gyration, m
3.468e-10
Experimental
Unknown
7
2

Solubility Parameter at 298.15 K, (J/m^3)^(1/2)
18200
Experimental
Unknown
8
2

Dipole Moment, c*m
5.93744e-30
Experimental
Unknown
9
2

Refractive Index at 298.15 K


Unknown



Critical Temperature, K
523.2
Experimental
Unknown
4
2

Melting Point (1 atm), K
189.6
Experimental
Unknown
7
2

Normal Boiling Point (1 atm), K
350.3
Experimental
Unknown
10
2

Enthalpy of Formation of Ideal gas at 298.15 K and 101325 Pa, J/kmol
-4.441e+08
Experimental
Unknown
11
2

Critical Pressure, Pa
3.83e+06
Experimental
Unknown
4
2

Absolute Entropy of Ideal Gas at 298.15 K and 101325 Pa, J/kmol*K
362750
Experimental
Unknown
11
2

Enthalpy of Fusion at Melting Point, J/kmol
1.0485e+07
Predicted
Unknown
12
2

Critical Volume, m^3/kmol
0.286
Experimental
Unknown
4
2

Net Enthalpy of Combustion Standard State (298.15)K), J/kmol
-2.2375e+09
Predicted
Unknown
13
2

Liquid Molar Volume at 298.15 K, m^3/kmol
0.0995354
Predicted
Unknown

14

Dielectric Constant






Flash Point, K
268.706
Experimental
Unknown
15
2

Lower Flammability Limit, vol % in air
2
Experimental
Unknown
15
3

Upper Flammability Limit, vol % in air
11.5
Experimental
Unknown
15
3

Auto Ignition Termperature, K
699.817
Experimental
Unknown
15
2

Enthalpy of Formation in Standard State at 298.15 K and 101325 Pa, J/kmol
-4.79863e+08
Experimental
< 1%
16
2

Absolute Entropy in Standard State at 298.15 K and 101325 Pa, J/kmol*K
259410
Experimental
Unknown
11
2

Triple Point Temperature, K






Triple Point Pressure, Pa






Enthalpy or Heat of Sublimation, J/kmol
5.61033e+07
Predicted
Unknown
17
2

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

Heat of Vaporization, J/kmol
18
106
4.933e+07
0.3847
-3.43188e-07
0
0
0
189.6
481.344
Predicted
Unknown

Ideal Gas Heat Capacity, J/kmol*K
18
107
28650.3
235439
805.996
126916
283.71
0
189.6
1500
Predicted
Unknown

Liquid heat Capacity (at 1 atm below normal boiling point, saturation pressure at and above), J/kmol*K
18
100
-976339
17453.7
-98.2478
0.240356
-0.000214385
0
189.6
350.3
Predicted
Unknown

Liquid Density (at 1 atm below normal boiling point, saturation pressure at and above), kmol/m^3
19
105
1.54618
0.36748
-2456.13
-1.22132
0
0
189.6
350.3
Experimental
Unknown

Liquid Thermal Conductivity (at 1 atm below normal boiling point, saturation pressure at and above), W/m*K
19
100
1.22682
-0.0157945
8.81224e-05
-2.17462e-07
1.9663e-10
0
189.6
350.3
Predicted
Unknown

Absolute Liquid Viscosity (at 1 atm below normal boiling point, saturation pressure at and above), Pa*s
19
101
-78.562
2907.33
11.1094
-2.5402e-05
0
0
189.6
350.3
Predicted
Unknown

Solid Heat Capacity, J/kmol*K
18
100
24036.4
572.978
-1.64024
0.00546369
-6.80981e-06
0
139.6
189.6
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
19
106
0.0501502
0.219878
1.18079
0
0
0
189.6
350.3
Predicted
Unknown

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



Unknown

Solid Vapor Pressure, Pa
18
101
204.66
-9900.79
-29.58
7.84547e-05
0
0
139.6
189.6
Predicted
Unknown

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



Unknown

Liquid Vapor Pressure, Pa
19
101
94.5607
-7106.79
-10.8907
8.65252e-06
0
0
189.6
481.344
Experimental
Unknown

Vapor Thermal Conductivity (at 1 atm or below), W/m*K
18
102
128.188
0.447211
3.84774e+07
2.1497e+09
0
0
350.3
723.2
Predicted
Unknown

Vapor Viscosity (at 1 atm or below), Pa*s
19
102
4.96275e-06
0.272563
425.211
73189.3
0
0
350.3
723.2
Predicted
Unknown

Notes

1
"The NIST Chemistry WebBook." .

2
Generated by MKSTest on Apr 09, 2020 at 17:27:52.

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

8
Allan F. M. Barton. "Handbook of Solubility Parameters and Other Cohesion Parameters." CRC Press. Boca Raton, Florida, USA. Edition 2, 1991.

9
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.

10
S. A. Mumford and J. W. C. Phillips. "The Physical Properties of Some Aliphatic Compounds." Journal of the Chemical Society. Page 75-84, 1950.

11
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.

12
Estimated using Joback Method [MKS] for the Enthalpy of Fusion at Tm.  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.

13
Estimated using Enthalpy Difference Calculation [MKS] for the Enthalpy of Combustion at 298K.  Referenced in: Molecular Knowledge Systems, Inc. "MKS Internal Calculation or Derivation." .

14
The volume value was calculated from the parameters regressed for the liquid density.

15
Amy B. Spencer and Guy R. Colonna. "Fire Protection Guide to Hazardous Materials." National Fire Protection Association. Quincy, Massachusetts, USA. Edition 13, 2002.

16
Kenneth B. Wiberg and Roy F. Waldron. "Lactones. 2. Enthalpies of Hydrolysis, Reduction, and Formation of the C4-CI3 Monocyclic Lactones. Strain Energies and Conformations." Journal of the American Chemical Society. Volume 113, number 20, page 7697-7705, 1991.

17
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.

18
Parameters regressed from new estimates.

19
Parameters regressed from database data.