Hexanoic acid, 2-ethyl-
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChI: InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
- IUPAC Standard InChIKey: OBETXYAYXDNJHR-UHFFFAOYSA-N
- CAS Registry Number: 149-57-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: α-Ethylcaproic acid; α-Ethylhexanoic acid; Butylethylacetic acid; Ethylhexanoic acid; Ethylhexoic acid; 2-Butylbutanoic acid; 2-Ethylcaproic acid; 2-Ethylhexanoic acid; 2-Ethylhexoic acid; 3-Heptanecarboxylic acid; Kyselina 2-ethylkapronova; Kyselina heptan-3-karboxylova; 2-Ethyl-1-hexanoic acid; 2-Ethylcapronic acid; NSC 8881
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Phase change data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 501.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| Tc | 675. | K | N/A | Steele, Chirico, et al., 1997 | Uncertainty assigned by TRC = 5. K; derived from fit of obs. vapor pressure; TRC |
| Tc | 673.6 | K | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 1.2 K; TRC |
| Tc | 674.6 | K | N/A | Teja and Rosenthal, 1990 | Uncertainty assigned by TRC = 0.8 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Pc | 27.80 | bar | N/A | Steele, Chirico, et al., 1997 | Uncertainty assigned by TRC = 3.00 bar; derived from fit of obs. vapor pressure; TRC |
| Pc | 27.78 | bar | N/A | Teja and Rosenthal, 1990 | Uncertainty assigned by TRC = 0.40 bar; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ρc | 1.803 | mol/l | N/A | Steele, Chirico, et al., 1997 | Uncertainty assigned by TRC = 0.10 mol/l; TRC |
| ρc | 1.89 | mol/l | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 76.3 ± 0.9 | kJ/mol | EB | Steele, Chirico, et al., 1997, 2 | Based on data from 397. - 514. K.; AC |
| ΔvapH° | 75.60 ± 0.42 | kJ/mol | C | Stridh, 1976 | ALS |
| ΔvapH° | 75.6 ± 0.5 | kJ/mol | C | Stridh, 1976 | AC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 61.8 | 418. | A | Stephenson and Malanowski, 1987 | Based on data from 403. - 500. K.; AC |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.,
Vapor Pressure, Heat Capacity, and Density along the Saturted Line, Measurements for Cyclohexanol, 2-Cyclohexen-1-one, 1,2-Dichloropropane, 1,4-Di-tert-butylbenzene, (±)-2-Ethylhexanoic Acid, 1-(m,
J. Chem. Eng. Data, 1997, 42, 1021-36. [all data]
Teja and Anselme, 1990
Teja, A.S.; Anselme, M.J.,
The critical properties of thermally stable and unstable fluids. II. 1986 results,
AIChE Symp. Ser., 1990, 86, 279, 122-7. [all data]
Teja and Rosenthal, 1990
Teja, A.S.; Rosenthal, D.J.,
The Critical Pressures and Temperatures of Twelve Substances Using A Low Residence Time Flow Apparatus,
AIChE Symp. Ser., 1990, 86, 279, 133-7. [all data]
Steele, Chirico, et al., 1997, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.,
Vapor Pressure, Heat Capacity, and Density along the Saturation Line, Measurements for Cyclohexanol, 2-Cyclohexen-1-one, 1,2-Dichloropropane, 1,4-Di- tert -butylbenzene, (±)-2-Ethylhexanoic Acid, 2-(Methylamino)ethanol, Perfluoro- n -heptane, and Sulfolane,
J. Chem. Eng. Data, 1997, 42, 6, 1021-1036, https://doi.org/10.1021/je9701036
. [all data]
Stridh, 1976
Stridh, G.,
Enthalpy of formation of 2-ethylhexanoic acid,
J. Chem. Thermodyn., 1976, 8, 193-194. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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