Methylacrylonitrile
- Formula: C4H5N
- Molecular weight: 67.0892
- IUPAC Standard InChI: InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3
- IUPAC Standard InChIKey: GYCMBHHDWRMZGG-UHFFFAOYSA-N
- CAS Registry Number: 126-98-7
- 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-Propenenitrile, 2-methyl-; Methacrylonitrile; α-Methacrylonitrile; α-Methylacrylonitrile; Isopropene cyanide; Isopropenylnitrile; 2-Cyano-1-propene; 2-Cyanopropene; 2-Methyl-2-propenenitrile; 2-Methylacrylonitrile; 2-Methylpropenenitrile; CH2C(CH3)CN; 2-Cyanopropene-1; USAF ST-40; Rcra waste number U152; 1-Methyl-1-cyanoethylene; Propenenitrile, 2-methyl; NSC 24145
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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: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 126.3 | 298.15 | Mirzaliev, Shakhuradov, et al., 1987 | T = 253 to 353 K. Unsmoothed experimental datum given as 1.863 kJ/kg*K at 293 K. Cp(liq) = 2.2117 + 0.0056352T/K + 1.52x10-5T2/K2 kJ/kg*K (253 to 353 K). Note, second coefficient should be negative. |
Reaction 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C4H4N- + =
By formula: C4H4N- + H+ = C4H5N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1551. ± 8.8 | kJ/mol | G+TS | Bartmess and Burnham, 1984 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1523. ± 8.4 | kJ/mol | IMRE | Bartmess and Burnham, 1984 | gas phase; value altered from reference due to change in acidity scale |
(CAS Reg. No. 42117-14-6 • 4294967295) +
= CAS Reg. No. 42117-14-6
By formula: (CAS Reg. No. 42117-14-6 • 4294967295C4H5N) + C4H5N = CAS Reg. No. 42117-14-6
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 212. ± 10. | kJ/mol | N/A | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mirzaliev, Shakhuradov, et al., 1987
Mirzaliev, A.A.; Shakhuradov, Sh.G.; Guseinov, S.O.,
Investigation of the isobaric heat capacity of nitriles at different temperatures, Izv. Vyssh. Ucheb. Zaved.,
Neft i Gaz, 1987, 30(4), 55-58. [all data]
Bartmess and Burnham, 1984
Bartmess, J.E.; Burnham, R.,
Effect of central substituents on the gas phase acidities of propenes,
J. Org. Chem., 1984, 49, 1382. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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