Butanoic acid, heptyl ester
- Formula: C11H22O2
- Molecular weight: 186.2912
- IUPAC Standard InChI: InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3
- IUPAC Standard InChIKey: JPQHLIYIQARLQM-UHFFFAOYSA-N
- CAS Registry Number: 5870-93-9
- 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, heptyl ester; Heptyl butyrate; Heptyl butanoate; n-Heptyl n-butyrate; n-Heptyl butanoate
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Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 499.02 | K | N/A | Bilterys and Gisseleire, 1935 | Uncertainty assigned by TRC = 0.3 K; TRC |
| Tboil | 498.4 | K | N/A | Gartenmeister, 1886 | Uncertainty assigned by TRC = 1.5 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 215.7 | K | N/A | Bilterys and Gisseleire, 1935 | Uncertainty assigned by TRC = 0.5 K; TRC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 14.0 | 399. | A | Stephenson and Malanowski, 1987 | Based on data from 384. to 498. 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.
Bilterys and Gisseleire, 1935
Bilterys, R.; Gisseleire, J.,
Investigations on the Congelation Temperature of Organic Compounds,
Bull. Soc. Chim. Belg., 1935, 44, 567. [all data]
Gartenmeister, 1886
Gartenmeister, R.,
Investigation of the physical characterstics of liquid compounds: vi boiling point and specific volume of normal fatty acid esters,
Justus Liebigs Ann. Chem., 1886, 233, 249-315. [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:
Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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