Chloroacetic acid, propyl ester
- Formula: C5H9ClO2
- Molecular weight: 136.577
- IUPAC Standard InChI: InChI=1S/C5H9ClO2/c1-2-3-8-5(7)4-6/h2-4H2,1H3
- IUPAC Standard InChIKey: QJZNRCWAXUGABH-UHFFFAOYSA-N
- CAS Registry Number: 5396-24-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Propyl chloroacetate; Acetic acid, chloro-, propyl ester
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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 | -111.7 ± 1.1 | kcal/mol | Ccb | Bjellerup and Smith, 1954 | Heat of formation derived by Cox and Pilcher, 1970 |
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 | -123.3 ± 0.4 | kcal/mol | Ccr | Bjellerup and Smith, 1954 | At 293 K |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -660.1 ± 0.4 | kcal/mol | Ccr | Bjellerup and Smith, 1954 | At 293 K |
| ΔcH°liquid | -660.1 ± 2.0 | kcal/mol | Ccr | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -658.40 ± 0.27 kcal/mol |
| ΔcH°liquid | -658.0 | kcal/mol | Ccb | Schjanberg, 1935 |
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 11.6 | 293. | V | Bjellerup and Smith, 1954 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 3.11 | 240. | Mido, Katano, et al., 1990 | AC |
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.
Bjellerup and Smith, 1954
Bjellerup, L.; Smith, L.,
Heats of combustion of some organic chloro-compounds,
Kgl. Fysiograph. Sallskap. Lund Forh., 1954, 24, 1-13. [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]
Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H.,
Heats of combustion of organic chloro compounds determined by the "quartz wool" method,
Acta Chem. Scand., 1953, 7, 65. [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]
Mido, Katano, et al., 1990
Mido, Yoshiyuki.; Katano, Hajime.; Isono, Takahiro.; Hashimoto, Masao.; Matsuura, Hiroatsu.,
Conformational phase transitions of n-propyl chloroacetate: thermal, chlorine-35 nuclear quadrupole resonance, and vibrational spectroscopic studies,
J. Phys. Chem., 1990, 94, 21, 8070-8072, https://doi.org/10.1021/j100384a018
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
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 ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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