1,1,1-Ethanetricarbonitrile
- Formula: C5H3N3
- Molecular weight: 105.0974
- IUPAC Standard InChI: InChI=1S/C5H3N3/c1-5(2-6,3-7)4-8/h1H3
- IUPAC Standard InChIKey: VWUGKRZGPYWAPN-UHFFFAOYSA-N
- CAS Registry Number: 10359-20-3
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Condensed 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
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 100.97 ± 0.27 | kcal/mol | Ccr | Rakus, Verevkin, et al., 1994 | ALS |
| ΔfH°gas | 102.0 | kcal/mol | N/A | Frankel, Amster, et al., 1966 | Value computed using ΔfHsolid° value of 353.0±5.0 kj/mol from Frankel, Amster, et al., 1966 and ΔsubH° value of 73.9 kj/mol from Rakus, Verevkin, et al., 1994.; DRB |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 83.31 ± 0.24 | kcal/mol | Ccr | Rakus, Verevkin, et al., 1994 | |
| ΔfH°solid | 84.4 ± 1.2 | kcal/mol | Ccb | Frankel, Amster, et al., 1966 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -656.04 ± 0.24 | kcal/mol | Ccr | Rakus, Verevkin, et al., 1994 | |
| ΔcH°solid | -657.5 ± 1.2 | kcal/mol | Ccb | Frankel, Amster, et al., 1966 |
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.
Rakus, Verevkin, et al., 1994
Rakus, K.; Verevkin, S.P.; Beckhaus, H.-D.; Rchardt, C.,
Thermochemistry and thermal decomposition of alkyl-substituted tricyanomethyl compounds,
Chem. Ber., 1994, 127, 2225-2234. [all data]
Frankel, Amster, et al., 1966
Frankel, M.B.; Amster, A.B.; Wilson, E.R.; McCormick, M.; McEachern, M., Jr.,
Synthesis and thermochemistry of tricyanomethyl and other polycyano compounds,
Adv. Chem. Ser., 1966, 108-117. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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