Oxopropanedinitrile
- Formula: C3N2O
- Molecular weight: 80.0449
- CAS Registry Number: 1115-12-4
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | 50.42 | kcal/mol | Ccb | Glemser and Hausser, 1948 | Authors' hf298_condensed=47.5 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -332.58 ± 0.64 | kcal/mol | Ccb | Glemser and Hausser, 1948 | Authors' hf298_condensed=47.5 kcal/mol |
Phase change 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 8.60 ± 0.80 | kcal/mol | V | Glemser and Hausser, 1948 | Reanalyzed by Cox and Pilcher, 1970, Original value = 8.969 kcal/mol; Authors' hf298_condensed=47.5 kcal/mol; ALS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 8.96 | 276. | A | Stephenson and Malanowski, 1987 | Based on data from 250. to 291. K. See also Glemser and Haüser, 1948.; AC |
Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 12.56 | PE | Thomas and Thompson, 1972 | Vertical value; LLK |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Glemser and Hausser, 1948
Glemser, O.; Hausser, V.,
Kohlenoxydverbindungen der nichtmetalle II Eigenschoften von Carbonylcanid,
Z. Naturforsch. B, 1948, 3, 159-163. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Glemser and Haüser, 1948
Glemser, O.; Haüser, V.,
Z. Naturforsch. B, 1948, 3B, 159. [all data]
Thomas and Thompson, 1972
Thomas, R.K.; Thompson, H.,
Photoelectron spectra of carbonyl halides and related compounds,
Proc. R. Soc. London A:, 1972, 327, 13. [all data]
Notes
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- 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 ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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