1,1,2-Trifluorotrinitroethane
- Formula: C2F3N3O6
- Molecular weight: 219.0331
- IUPAC Standard InChI: InChI=1S/C2F3N3O6/c3-1(4,6(9)10)2(5,7(11)12)8(13)14
- IUPAC Standard InChIKey: YZXMNZPACCLUCJ-UHFFFAOYSA-N
- CAS Registry Number: 20165-38-2
- 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -143.7 ± 0.7 | kcal/mol | Ccb | Pepekin, Lebedev, et al., 1973 | hf_HF.30H2O=-77.01 kcal/mol and hf_CF4=-223.0 kcal/mol |
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°liquid | -157.5 ± 0.7 | kcal/mol | Ccb | Pepekin, Lebedev, et al., 1973 | hf_HF.30H2O=-77.01 kcal/mol and hf_CF4=-223.0 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -154.8 ± 0.5 | kcal/mol | Ccb | Pepekin, Lebedev, et al., 1973 | hf_HF.30H2O=-77.01 kcal/mol and hf_CF4=-223.0 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° | 13.8 ± 0.2 | kcal/mol | V | Pepekin, Lebedev, et al., 1973 | hf_HF.30H2O=-77.01 kcal/mol and hf_CF4=-223.0 kcal/mol; ALS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 13.8 | 328. | A | Stephenson and Malanowski, 1987 | Based on data from 313. to 353. K. See also Pepekin, Lebedev, et al., 1973, 2.; 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.
Pepekin, Lebedev, et al., 1973
Pepekin, V.I.; Lebedev, Yu.A.; Apin, A.Ya.,
Dissociation energies of C-F and C-C bonds in α-fluoronitro derivatives of methane and ethane,
Dokl. Akad. Nauk SSSR, 1973, 208, 153-155. [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]
Pepekin, Lebedev, et al., 1973, 2
Pepekin, V.I.; Lebedev, Y.A.; Apin, A.Y.,
Dokl. Phys. Chem., 1973, 208, 35. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
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 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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