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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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, Gas Chromatography, 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°liquid | -73.98 ± 0.13 | kcal/mol | Ccb | Verevkin, Beckhaus, et al., 1995 | |
| ΔfH°liquid | -74.6 | kcal/mol | Ccb | Guinchant, 1918 | Author hf288_condensed[kcal/mol]=-77.8 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -473.02 ± 0.11 | kcal/mol | Ccb | Verevkin, Beckhaus, et al., 1995 | |
| ΔcH°liquid | -472.4 | kcal/mol | Ccb | Guinchant, 1918 | Author hf288_condensed[kcal/mol]=-77.8 kcal/mol |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 900. | Jung, Wichmann, et al., 1999 | 25. m/0.20 mm/0.33 μm, 50. C @ 3. min, 5. K/min; Tend: 180. C |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Gas Chromatography, Notes
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]
Guinchant, 1918
Guinchant, M.J.,
Etude sur la fonction acide dans les derives metheniques et methiniques,
Ann. Chem., 1918, 10, 30-84. [all data]
Jung, Wichmann, et al., 1999
Jung, A.; Wichmann, K.-H.; Kolb, M.,
VOC emission of polymeric packaging materials,
LaborPraxis, 1999, 23, 9, 20-22. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid 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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