- InChI
- InChI=1S/C8H6Cl3FO/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4,7,13H
- InChI Key
- NXMVOAIYDICRQK-UHFFFAOYSA-N
- Formula
- C8H6Cl3FO
- SMILES
- OC(c1ccc(F)cc1)C(Cl)(Cl)Cl
- Molecular Weight1
- 243.49
- CAS
- 394-56-9
- 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).
- 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 | 0.5265 | Relay (1.0) Calculated Property | |
| ΔfG° | -247.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.229 | Crippen Calculated Property | |
| McVol | 144.180 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Tboil | 512.03 | K | Relay (1.0) Calculated Property |
| Tc | 770.30 | K | Relay (1.0) Calculated Property |
| Tfus | 341.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.498 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.11; 343.37] | J/mol×K | [614.17; 832.57] | 
|
| Cp,gas | 303.11 | J/mol×K | 614.17 | Joback Calculated Property |
| Cp,gas | 311.42 | J/mol×K | 650.57 | Joback Calculated Property |
| Cp,gas | 319.02 | J/mol×K | 686.97 | Joback Calculated Property |
| Cp,gas | 325.96 | J/mol×K | 723.37 | Joback Calculated Property |
| Cp,gas | 332.29 | J/mol×K | 759.77 | Joback Calculated Property |
| Cp,gas | 338.07 | J/mol×K | 796.17 | Joback Calculated Property |
| Cp,gas | 343.37 | J/mol×K | 832.57 | Joback Calculated Property |
Similar Compounds
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Sources
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