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, Phase change 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, Phase change 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 |
Phase change data
Go To: Top, Gas phase thermochemistry data, 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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 17.66 ± 0.11 | kcal/mol | V | Rakus, Verevkin, et al., 1994 | ALS |
| ΔsubH° | 17.7 | kcal/mol | N/A | Rakus, Verevkin, et al., 1994 | DRB |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 13.2 | 293. to 333. | B | Rakus, Verevkin, et al., 1994 | AC |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 17.7 ± 0.1 | 313. | T | Rakus, Verevkin, et al., 1994 | Based on data from 293. to 333. K.; AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 4.47 | 367.2 | Rakus, Verevkin, et al., 1994 | AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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, Phase change 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 ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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