- InChI
- InChI=1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
- InChI Key
- GBOWGKOVMBDPJF-UHFFFAOYSA-N
- Formula
- C7H4F4
- SMILES
- Fc1cccc(C(F)(F)F)c1
- Molecular Weight1
- 164.10
- CAS
- 401-80-9
- Other Names
-
- m-Fluorobenzotrifluoride
- 3-Fluorobenzotrifluoride
- Benzene, 1-fluoro-3-(trifluoromethyl)-
- m,«alpha»,«alpha»,«alpha»-Tetrafluorotoluene
- Toluene, «alpha»,«alpha»,«alpha»-m-tetrafluoro-
- Toluene, m,«alpha»,«alpha»,«alpha»-tetrafluoro-
- Trifluoromethyl-3-fluorobenzene
- 1-(Trifluoromethyl)-3-fluorobenzene
- m,alpha,alpha,alpha-Tetrafluorotoluene
- 3-Fluoro(trifluoromethyl)benzene
- «alpha»,«alpha»,«alpha»,3-Tetrafluorotoluene
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ΔcH°liquid | -3211.70 ± 0.59 | kJ/mol | NIST |
| ΔfG° | -665.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -792.20 ± 1.10 | kJ/mol | NIST |
| ΔfH°liquid | -830.20 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 12.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.90 ± 0.20 | kJ/mol | NIST |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.845 | Crippen Calculated Property | |
| McVol | 92.810 | ml/mol | McGowan Calculated Property |
| Pc | 3322.01 | kPa | Joback Calculated Property |
| Inp | [861.00; 861.00] |
|
|
| Inp | 861.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 861.00 | NIST | |
| Tboil | [373.00; 374.70] | K |
|
| Tboil | 373.00 | K | NIST |
| Tboil | 374.70 | K | NIST |
| Tc | 566.36 | K | Joback Calculated Property |
| Tfus | 212.37 | K | Joback Calculated Property |
| Vc | 0.381 | m3/kmol | Joback 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 |
| ΔvapH | 36.80 | kJ/mol | 361.50 | NIST |
Similar Compounds
Find more compounds similar to 1-Fluoro-3-(trifluoro-methyl)benzene.
Sources
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