Acetic acid, butyl ester
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChI: InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
- IUPAC Standard InChIKey: DKPFZGUDAPQIHT-UHFFFAOYSA-N
- CAS Registry Number: 123-86-4
- 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: n-Butyl acetate; Butyl acetate; Butyl ethanoate; 1-Butyl acetate; CH3COO(CH2)3CH3; Acetic acid n-butyl ester; n-Butyl ethanoate; Acetate de butyle; Butile(acetati di); Butylacetat; Butylacetaten; Butyle (acetate de); Butylester kyseliny octove; Butyl ester of acetic acid; 1-Acetoxybutane; 1-Butanol, acetate; Butyl ester, acetic acid; NSC 9298; Butile; Butyle; UN 1123
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Gas 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: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -566.0 | kJ/mol | N/A | Schiopu, Bot, et al., 1961 | Value computed using ΔfHliquid° value of -609.6 kj/mol from Schiopu, Bot, et al., 1961 and ΔvapH° value of 43.6±0.2 kj/mol from missing citation. |
Condensed phase thermochemistry data
Go To: Top, Gas 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:
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 | -609.6 | kJ/mol | Ccb | Schiopu, Bot, et al., 1961 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -3467. | kJ/mol | Ccb | Schiopu, Bot, et al., 1961 | Corresponding ΔfHºliquid = -609.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -3543. | kJ/mol | Ccb | Schjanberg, 1935 | Corresponding ΔfHºliquid = -533.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 228.11 | 298.35 | Zabransky, Hynek, et al., 1987 | T = 294 to 364 K. Unsmoothed experimental datum.; DH |
| 225.11 | 298.15 | Jimenez, Romani, et al., 1986 | DH |
| 228.4 | 298.15 | Fuchs, 1979 | DH |
| 242.3 | 292.5 | Kolosovskii and Udovenko, 1934 | DH |
| 242.3 | 292.5 | de Kolossowsky and Udowenko, 1933 | DH |
References
Go To: Top, Gas phase thermochemistry data, 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.
Schiopu, Bot, et al., 1961
Schiopu, M.; Bot, O.; Onu, V.,
Studiul termodinamic si cinetic al sistemului acetat de n-butil-apa. Nota I.,
Bul. Inst. Poleteh. Iasi, 1961, 7, 115-118. [all data]
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]
Zabransky, Hynek, et al., 1987
Zabransky, M.; Hynek, V.; Finkeova-Hastabova, J.; Vesely, F.,
Heat capacities of six liquid esters as a function of temperature,
Coll. Czech. Chem. Comm., 1987, 52, 251-256. [all data]
Jimenez, Romani, et al., 1986
Jimenez, E.; Romani, L.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E.,
Molar excess heat capacities and volumes for mixtures of alkanoates with cyclohexane at 25°C,
J. Solution Chem., 1986, 15(11), 879-890. [all data]
Fuchs, 1979
Fuchs, R.,
Heat capacities of some liquid aliphatic, alicyclic, and aromatic esters at 298.15 K,
J. Chem. Thermodyn., 1979, 11, 959-961. [all data]
Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W.,
Specific heat of liquids. II.,
Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]
de Kolossowsky and Udowenko, 1933
de Kolossowsky, N.A.; Udowenko, W.W.,
Mesure des chaleurs specifique moleculaires de quelques liquides,
Compt. rend., 1933, 197, 519-520. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, 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°gas Enthalpy of formation of gas 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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