Benzene, 1-fluoro-4-methyl-
- Formula: C7H7F
- Molecular weight: 110.1289
- IUPAC Standard InChI: InChI=1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
- IUPAC Standard InChIKey: WRWPPGUCZBJXKX-UHFFFAOYSA-N
- CAS Registry Number: 352-32-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Toluene, p-fluoro-; p-Fluoromethylbenzene; p-Fluorotoluene; 1-Fluoro-4-methylbenzene; 4-Fluorotoluene; para-Fluorotoluene; 1-Methyl-4-fluorobenzene; NSC 8861; Toluene, 4-fluoro
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -35.25 ± 0.02 | kcal/mol | Ccr | Good, Lacina, et al., 1962 | Corrected for CODATA value of ΔfH |
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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -44.67 ± 0.02 | kcal/mol | Ccr | Good, Lacina, et al., 1962 | Corrected for CODATA value of ΔfH; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -895.60 ± 0.17 | kcal/mol | Ccr | Good, Lacina, et al., 1962 | Corrected for CODATA value of ΔfH; Reanalyzed by Cox and Pilcher, 1970, Original value = -894.67 ± 0.17 kcal/mol; ALS |
| ΔcH°liquid | -902.95 | kcal/mol | Ccb | Swarts, 1919 | Not corrected for CODATA value of ΔfH; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 56.671 | cal/mol*K | N/A | Scott, Messerly, et al., 1962 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 41.52 | 298.15 | Meva'a and Lichanot, 1990 | T = 216 to 298 K. Cp(liq) = 164.969 + 0.350T J/mol*K (-57 to 25 C).; DH |
| 41.18 | 298.15 | Good, Lacina, et al., 1962 | DH |
| 40.911 | 298.15 | Scott, Messerly, et al., 1962 | T = 13 to 361 K.; DH |
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.
Good, Lacina, et al., 1962
Good, W.D.; Lacina, J.L.; Scott, D.W.; McCullough, J.P.,
Combustion calorimetry of organic fluorine compounds. The heats of combustion and formation of the difluorobenzenes, 4-fluorotoluene and m-trifluorotoluic acid,
J. Phys. Chem., 1962, 66, 1529-1532. [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]
Swarts, 1919
Swarts, F.,
Etudes thermochimiques sur les combinaisons organiques fluorees,
J. Chim. Phys., 1919, 17, 3-70. [all data]
Scott, Messerly, et al., 1962
Scott, D.W.; Messerly, J.F.; Todd, S.S.; Hossenlopp, I.A.; Douslin, D.R.; McCullough, J.P.,
4-Fluorotoluene: Chemical thermodynamic properties, vibrational assignment, and internal rotation,
J. Chem. Phys., 1962, 37, 867-873. [all data]
Meva'a and Lichanot, 1990
Meva'a, L.M.; Lichanot, A.,
Proprietes thermodynamiques en phase condensee des ortho, meta et para fluorotoluene, cresol et toluidine,
Thermochim. Acta, 1990, 158, 335-345. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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