Ethyl 2-cyanopropionate
- Formula: C6H9NO2
- Molecular weight: 127.1412
- IUPAC Standard InChI: InChI=1S/C6H9NO2/c1-3-9-6(8)5(2)4-7/h5H,3H2,1-2H3
- IUPAC Standard InChIKey: MIHRVXYXORIINI-UHFFFAOYSA-N
- CAS Registry Number: 1572-99-2
- 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: 2-Cyanopropionic acid ethyl ester; Propanoic acid, 2-cyano-, ethyl ester; Ethyl 2-cyanopropanoate
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -74.56 ± 0.15 | kcal/mol | Ccb | Verevkin, Beckhaus, et al., 1995 |
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 | -88.56 ± 0.13 | kcal/mol | Ccb | Verevkin, Beckhaus, et al., 1995 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -783.17 ± 0.069 | kcal/mol | Ccb | Verevkin, Beckhaus, et al., 1995 |
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 14.00 ± 0.069 | kcal/mol | V | Verevkin, Beckhaus, et al., 1995 | ALS |
| ΔvapH° | 14.0 ± 0.07 | kcal/mol | GS | Verevkin, Beckhaus, et al., 1995 | Based on data from 283. to 323. K.; AC |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Verevkin, Beckhaus, et al., 1995
Verevkin, S.P.; Beckhaus, H.-D.; Ruchardt, C.,
Geminale substituenteneffekte. Teil 6. Standardbildungsenthalpien von alkylsubstituierten-alkoxynitrilen und α-cyano-carbonsaureestern,
Thermochim. Acta, 1995, 249, 1-11. [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 ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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