Propanenitrile, 3-(dimethylamino)-
- Formula: C5H10N2
- Molecular weight: 98.1463
- IUPAC Standard InChI: InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3
- IUPAC Standard InChIKey: MTPJEFOSTIKRSS-UHFFFAOYSA-N
- CAS Registry Number: 1738-25-6
- 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: Propionitrile, 3-(dimethylamino)-; β-(Dimethylamino)propionitrile; β-(N-Dimethylamino)propionitrile; N,N-(Dimethylamino)-3-propionitrile; 3-(Dimethylamino)propionitrile; 3-(N,N-Dimethylamino)propionitrile; Dimethylaminopropionitrile; 3-(Dimethylamino)propanenitrile; 3-Dimethylaminopropanonitrile; beta-Dimethylaminopropionitrile; DMAPN; NSC 232; 3-dimethylaminopropiononitrile
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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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 96.7 | kJ/mol | N/A | Gutner, Lebedeva, et al., 1979 | Value computed using ΔfHliquid° value of 43.6±0.5 kj/mol from Gutner, Lebedeva, et al., 1979 and ΔvapH° value of 53.05 kj/mol from missing citation.; DRB |
| ΔfH°gas | 90.4 | kJ/mol | Ccb | Vasil'eva and Kotov, 1977 | hf298 calculated possible error by author; ALS |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | 43.6 ± 0.5 | kJ/mol | Ccb | Gutner, Lebedeva, et al., 1979 | Authors hf298_condensed=-43.6±0.5 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -3440.3 ± 0.5 | kJ/mol | Ccb | Gutner, Lebedeva, et al., 1979 | Authors hf298_condensed=-43.6±0.5 kJ/mol; ALS |
| ΔcH°liquid | -3434. ± 3. | kJ/mol | Ccb | Vasil'eva and Kotov, 1977 | hf298 calculated possible error by author; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 266.4 | J/mol*K | N/A | Dzhafarov, Karasharli, et al., 1982 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 212.5 | 298.15 | Dzhafarov, Karasharli, et al., 1982 | T = 12 to 300 K.; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gutner, Lebedeva, et al., 1979
Gutner, N.M.; Lebedeva, N.D.; Kiseleva, N.N.,
Enthalpies of combustion and formation of some acyl-substituted diamines,
Termodin. Org. Soedin., 1979, 97-98. [all data]
Vasil'eva and Kotov, 1977
Vasil'eva, T.F.; Kotov, V.I.,
Heats of combustion of dimethyl-substituted amides and dimethylalkylamines,
Vses. Konf. Kalorim. Rasshir. Tezisy Dokl. 7th, 1977, 1, 102-106. [all data]
Dzhafarov, Karasharli, et al., 1982
Dzhafarov, O.I.; Karasharli, K.A.; Kuliev, A.M.,
Study of the real heat capacity of β-dimethylaminopropionitrile in the range 12-300K,
Azerb. Khim. Zhur., 1982, No.2, 92-95. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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