Butanoic acid, cyclohexyl ester
- Formula: C10H18O2
- Molecular weight: 170.2487
- IUPAC Standard InChI: InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
- IUPAC Standard InChIKey: VZHUBBUZNIULNM-UHFFFAOYSA-N
- CAS Registry Number: 1551-44-6
- 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: Butyric acid, cyclohexyl ester; Cyclohexanyl butyrate; Cyclohexyl butanoate; Cyclohexyl butyrate; Cyclohexyl n-butyrate; n-Butyric acid cyclohexyl ester; Cyclohexanol butanoate
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -130.4 ± 0.67 | kcal/mol | Ccb | Verevkin, Beckhaus, et al., 1996 |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -144.8 ± 0.65 | kcal/mol | Ccb | Verevkin, Beckhaus, et al., 1996 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1413.1 ± 0.65 | kcal/mol | Ccb | Verevkin, Beckhaus, et al., 1996 | Corresponding ΔfHºliquid = -142.3 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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:
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
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Ttriple | 219.60 | K | N/A | Kabo, Kozyro, et al., 1999 | Uncertainty assigned by TRC = 0.15 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 14.4 ± 0.7 | kcal/mol | AVG | N/A | Average of 9 values; Individual data points |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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., 1996
Verevkin, S.P.; Beckhaus, H.-D.; Belen'kaja, R.S.; Rakus, K.; Ruchardt, C.,
Geminal substituent effects Part 9. Standard enthalpies of formation and strain free increments of branched esters and ethers,
Thermochim. Acta, 1996, 279, 47-64. [all data]
Kabo, Kozyro, et al., 1999
Kabo, G.J. (see Kabo; Kozyro, A.A.; Frenkel, M. (see frenke ml); Blokhin, A.V.,
Solid Phase Transitions of the Cyclohexane Derivatives and the Model of Energy States of Molecules in Plastic Crystals,
Mol. Cryst. Liq. Cryst., 1999, 326, 333-5. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Ttriple Triple point temperature ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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