Fluorodinitrophenylmethane
- Formula: C7H5FN2O4
- Molecular weight: 200.1240
- IUPAC Standard InChI: InChI=1S/C7H5FN2O4/c8-7(9(11)12,10(13)14)6-4-2-1-3-5-6/h1-5H
- IUPAC Standard InChIKey: NPRRCIKUIFRPTB-UHFFFAOYSA-N
- CAS Registry Number: 17003-70-2
- 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: Fluorodinitrophenylethane
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -16.9 | kcal/mol | Semi | Stewart, 2004 | |
| ΔfH°gas | -44.2 ± 0.6 | kcal/mol | Ccb | Pepekin, Matyushin, et al., 1972 | ALS |
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 | -56.8 ± 0.4 | kcal/mol | Ccb | Pepekin, Matyushin, et al., 1972 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -815.20 ± 0.40 | kcal/mol | Ccb | Pepekin, Matyushin, et al., 1972 |
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:
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° | 12.6 ± 0.2 | kcal/mol | V | Pepekin, Matyushin, et al., 1972 | ALS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 12.6 | 343. | A | Stephenson and Malanowski, 1987 | Based on data from 328. to 363. K.; 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.
Stewart, 2004
Stewart, J.J.P.,
Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation,
J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6
. [all data]
Pepekin, Matyushin, et al., 1972
Pepekin, V.I.; Matyushin, Yu.N.; Rozantsev, G.G.; Shevelev, S.A.; Apin, A.Ya.,
Enthalpies of formation of dinitrophenylmethane, trinitrophenylethane, and fluorodinitrophenylamine,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1972, 2634-2636. [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]
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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