- InChI
- InChI=1S/C8H6ClF3/c9-7(8(10,11)12)6-4-2-1-3-5-6/h1-5,7H
- InChI Key
- GIZBYELHYIBHIR-UHFFFAOYSA-N
- Formula
- C8H6ClF3
- SMILES
- FC(F)(F)C(Cl)c1ccccc1
- 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 | 0.3097 | Relay (1.0) Calculated Property | |
| ΔfG° | -467.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.529 | Crippen Calculated Property | |
| McVol | 117.370 | ml/mol | McGowan Calculated Property |
| Pc | 3086.42 | kPa | Joback Calculated Property |
| Inp | [948.00; 948.00] |
|
|
| Inp | 948.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 948.00 | NIST | |
| Tboil | 412.66 | K | Relay (1.0) Calculated Property |
| Tc | 624.33 | K | Relay (1.0) Calculated Property |
| Tfus | 230.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.42; 289.40] | J/mol×K | [440.69; 641.48] |
|
| Cp,gas | 229.42 | J/mol×K | 440.69 | Joback Calculated Property |
| Cp,gas | 241.46 | J/mol×K | 474.15 | Joback Calculated Property |
| Cp,gas | 252.62 | J/mol×K | 507.62 | Joback Calculated Property |
| Cp,gas | 262.95 | J/mol×K | 541.08 | Joback Calculated Property |
| Cp,gas | 272.50 | J/mol×K | 574.55 | Joback Calculated Property |
| Cp,gas | 281.30 | J/mol×K | 608.01 | Joback Calculated Property |
| Cp,gas | 289.40 | J/mol×K | 641.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-chloro-2,2,2-trifluoroethyl).
Sources
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