Propanoic acid, 2,2-dimethyl-, ethyl ester
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChI: InChI=1S/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3
- IUPAC Standard InChIKey: HHEIMYAXCOIQCJ-UHFFFAOYSA-N
- CAS Registry Number: 3938-95-2
- 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: Pivalic acid, ethyl ester; Ethyl pivalate; Ethyl 2,2-dimethylpropionate; Trimethylacetic acid, ethyl ester; 2,2-Dimethylpropanoic acid ethyl ester; Ethyl trimethylacetate; 2,2-Dimethylpropionic acid, ethyl ester; Ethyl 2,2-dimethylpropanoate; NSC 17494
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Condensed phase thermochemistry data
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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -135.48 ± 0.25 | kcal/mol | Ccb | Verevkin, Beckhaus, et al., 1992 | See 90BEC/VER; ALS |
| ΔfH°liquid | -138.0 ± 2.0 | kcal/mol | Ccb | Hancock, Watson, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -138. kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1001.08 ± 0.24 | kcal/mol | Ccb | Verevkin, Beckhaus, et al., 1992 | See 90BEC/VER; Corresponding ΔfHºliquid = -135.48 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -998.6 ± 2.0 | kcal/mol | Ccb | Hancock, Watson, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -999. kcal/mol; Corresponding ΔfHºliquid = -137.96 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 66.40 | 298.15 | Verevkin, Beckhaus, et al., 1992 | DH |
| 60.06 | 298.15 | Nilsson and Wadso, 1986 | DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Verevkin, Beckhaus, et al., 1992
Verevkin, S.P.; Beckhaus, H.-D.; Ruchardt, C.,
Geminale substituenteneffekte Teil 5α. Standardbildungsenthalpien von alkylsubstituierten Malonsaure- und α-aminocarbonsaureestern,
Thermochim. Acta, 1992, 197, 27-39. [all data]
Hancock, Watson, et al., 1954
Hancock, C.K.; Watson, G.M.; Gilby, R.F.,
Heats of combustion of five-carbon fatty acids and their methyl and ethyl esters,
J. Phys. Chem., 1954, 58, 127-129. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Nilsson and Wadso, 1986
Nilsson, S.-O.; Wadso, I.,
Thermodynamic properties of some mono-, di-, and tri esters. Enthalpies of solution in water at 288.15 to 318.15 K and enthalpies of vaporization and heat capacities at 298.15 K,
J. Chem. Thermodyn., 1986, 18, 673-681. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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