Acetic acid, cyano-, methyl ester
- Formula: C4H5NO2
- Molecular weight: 99.0880
- IUPAC Standard InChI: InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3
- IUPAC Standard InChIKey: ANGDWNBGPBMQHW-UHFFFAOYSA-N
- CAS Registry Number: 105-34-0
- 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: Cyanoacetic acid methyl ester; Methyl cyanoacetate; Methyl cyanoethanoate; Methyl 2-cyanoacetate; USAF kf-22; Methylester kyseliny kyanoctove; Malonic methyl ester nitrile
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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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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 |
|---|---|---|---|---|---|
| Tboil | 478.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Tboil | 473.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 260.0 | K | N/A | Dreisbach, 1955 | Uncertainty assigned by TRC = 0.02 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 66.23 ± 0.88 | kJ/mol | V | Verevkin, Beckhaus, et al., 1995 | ALS |
| ΔvapH° | 66.2 ± 0.9 | kJ/mol | GS | Verevkin, Beckhaus, et al., 1995 | Based on data from 292. to 322. K.; AC |
| ΔvapH° | 56.2 ± 4.2 | kJ/mol | E | Guthrie and Cullimore, 1980 | ALS |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 388.2 | 0.048 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 54.9 | 400. | A | Stephenson and Malanowski, 1987 | Based on data from 385. to 573. K. See also Dykyj, 1971.; 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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Dreisbach, 1955
Dreisbach, R.R.,
Physical Properties of Chemical Compounds, Advances in Chemistry Series No. 15, Am. Chem. Soc.: Washington, D. C., 1955. [all data]
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]
Guthrie and Cullimore, 1980
Guthrie, J.P.; Cullimore, P.A.,
Effect of the acyl substituent on the equilibrium constant for hydration of esters,
Can. J. Chem., 1980, 58, 1281-1294. [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]
Dykyj, 1971
Dykyj, J.,
Petrochemia, 1971, 11, 2, 27. [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 ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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