- InChI
- InChI=1S/C9H7Cl2F3O/c1-15-7-4-2-6(3-5-7)8(10,11)9(12,13)14/h2-5H,1H3
- InChI Key
- ABMVKEFNQCDUJN-UHFFFAOYSA-N
- Formula
- C9H7Cl2F3O
- SMILES
- COc1ccc(C(Cl)(Cl)C(F)(F)F)cc1
- Molecular Weight1
- 259.05
- 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 | 0.4256 | Relay (1.0) Calculated Property | |
| ΔfG° | -579.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.888 | Crippen Calculated Property | |
| McVol | 149.570 | ml/mol | McGowan Calculated Property |
| Pc | 2619.09 | kPa | Joback Calculated Property |
| Inp | 1478.00 | NIST | |
| Tboil | 470.51 | K | Relay (1.0) Calculated Property |
| Tc | 684.82 | K | Relay (1.0) Calculated Property |
| Tfus | 301.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.524 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.23; 381.13] | J/mol×K | [525.61; 737.39] | 
|
| Cp,gas | 323.23 | J/mol×K | 525.61 | Joback Calculated Property |
| Cp,gas | 335.07 | J/mol×K | 560.91 | Joback Calculated Property |
| Cp,gas | 345.95 | J/mol×K | 596.20 | Joback Calculated Property |
| Cp,gas | 355.94 | J/mol×K | 631.50 | Joback Calculated Property |
| Cp,gas | 365.09 | J/mol×K | 666.80 | Joback Calculated Property |
| Cp,gas | 373.47 | J/mol×K | 702.09 | Joback Calculated Property |
| Cp,gas | 381.13 | J/mol×K | 737.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methoxy-4-(1,1-dichloro-2,2,2-trifluoroethyl).
Sources
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