Butanoic acid, butyl ester
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChI: InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
- IUPAC Standard InChIKey: XUPYJHCZDLZNFP-UHFFFAOYSA-N
- CAS Registry Number: 109-21-7
- 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. - Isotopologues:
- Other names: Butyric acid, butyl ester; n-Butyl butanoate; n-Butyl butyrate; n-Butyl n-butyrate; Butyl butanoate; Butyl butylate; Butyl butyrate; 1-Butyl butyrate; Butyl n-butyrate; n-Butyl n-butanoate; n-Butyric acid n-butyl ester; Butyl ester of butanoic acid; NSC 8458
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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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -1157.8 | kcal/mol | Ccb | Schjanberg, 1935 | Corresponding ΔfHºliquid = -141.1 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Phase change data
Go To: Top, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 439. ± 2. | K | AVG | N/A | Average of 15 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Ttriple | 181.58 | K | N/A | Balakina, Petrova, et al., 1979 | Uncertainty assigned by TRC = 0.1 K; TRC |
| Ttriple | 181.68 | K | N/A | Balakina, Petrova, et al., 1979 | Uncertainty assigned by TRC = 0.04 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tc | 612.1 | K | N/A | Young, 1994 | Uncertainty assigned by TRC = 0.6 K; TRC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 3.568 | 181.7 | Domalski and Hearing, 1996 | AC |
References
Go To: Top, 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.
Schjanberg, 1935
Schjanberg, E.,
Die Verbrennungswarmen und die Refraktionsdaten einiger chlorsubstituierter Fettsauren und Ester.,
Z. Phys. Chem. Abt. A, 1935, 172, 197-233. [all data]
Balakina, Petrova, et al., 1979
Balakina, M.M.; Petrova, G.V.; Vasil'ev, I.A.,
Heat capacity of butyl acetate and butyl Butyrate in a liquid state.,
Termodin. Org. Soedin., 1979, No. 8, 37. [all data]
Young, 1994
Young, C.L.,
Personal Commun. 1994 1994, 1994. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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