- InChI
- InChI=1S/C8H6ClF3/c9-7-3-1-2-6(4-7)5-8(10,11)12/h1-4H,5H2
- InChI Key
- NUCKCUUXOKSESF-UHFFFAOYSA-N
- Formula
- C8H6ClF3
- SMILES
- FC(F)(F)Cc1cccc(Cl)c1
- Molecular Weight1
- 194.58
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3774 | Relay (1.0) Calculated Property | |
| ΔfG° | -474.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.445 | Crippen Calculated Property | |
| McVol | 117.370 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| Inp | [978.00; 978.00] |
|
|
| Inp | 978.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 978.00 | NIST | |
| Tboil | 434.56 | K | Relay (1.0) Calculated Property |
| Tc | 635.50 | K | Relay (1.0) Calculated Property |
| Tfus | 205.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.420 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.05; 286.38] | J/mol×K | [446.11; 643.63] |
|
| Cp,gas | 230.05 | J/mol×K | 446.11 | Joback Calculated Property |
| Cp,gas | 241.23 | J/mol×K | 479.03 | Joback Calculated Property |
| Cp,gas | 251.64 | J/mol×K | 511.95 | Joback Calculated Property |
| Cp,gas | 261.33 | J/mol×K | 544.87 | Joback Calculated Property |
| Cp,gas | 270.32 | J/mol×K | 577.79 | Joback Calculated Property |
| Cp,gas | 278.66 | J/mol×K | 610.71 | Joback Calculated Property |
| Cp,gas | 286.38 | J/mol×K | 643.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-3-(2,2,2-trifluoroethyl).
Sources
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