- InChI
- InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
- InChI Key
- BGVGHYOIWIALFF-UHFFFAOYSA-N
- Formula
- C7H4F4
- SMILES
- Fc1ccccc1C(F)(F)F
- Molecular Weight1
- 164.10
- CAS
- 392-85-8
- Other Names
-
- o-Fluorobenzotrifluoride
- 2-Fluorobenzotrifluoride
- o,«alpha»,«alpha»,«alpha»-Tetrafluorotoluene
- Toluene, «alpha»,«alpha»,«alpha»,o-tetrafluoro-
- Toluene, o,«alpha»,«alpha»,«alpha»-tetrafluoro-
- 1-Fluoro-2-(trifluoromethyl)benzene
- o,alpha,alpha,alpha-Tetrafluorotoluene
- NSC 10314
- «alpha»,«alpha»,«alpha»,2-tetrafluorotoluene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3112 | Relay (1.0) Calculated Property | |
| ΔfG° | -665.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.10 | kJ/mol | NIST |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.845 | Crippen Calculated Property | |
| McVol | 92.810 | ml/mol | McGowan Calculated Property |
| Pc | 3322.01 | kPa | Joback Calculated Property |
| Tboil | 387.50 ± 0.50 | K | NIST |
| Tc | 557.96 | K | Relay (1.0) Calculated Property |
| Tfus | 217.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.347 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.38; 226.36] | J/mol×K | [385.07; 566.36] | 
|
| Cp,gas | 174.38 | J/mol×K | 385.07 | Joback Calculated Property |
| Cp,gas | 184.55 | J/mol×K | 415.28 | Joback Calculated Property |
| Cp,gas | 194.08 | J/mol×K | 445.50 | Joback Calculated Property |
| Cp,gas | 203.00 | J/mol×K | 475.71 | Joback Calculated Property |
| Cp,gas | 211.34 | J/mol×K | 505.93 | Joback Calculated Property |
| Cp,gas | 219.11 | J/mol×K | 536.14 | Joback Calculated Property |
| Cp,gas | 226.36 | J/mol×K | 566.36 | Joback Calculated Property |
| ΔfusH | 10.70 | kJ/mol | 222.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 387.70 | K | 100.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-2-(trifluoromethyl)-.
Sources
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