- InChI
- InChI=1S/C14H10ClFO2/c1-9-4-2-5-10(8-9)18-14(17)11-6-3-7-12(15)13(11)16/h2-8H,1H3
- InChI Key
- VRSWPYUREXWJDA-UHFFFAOYSA-N
- Formula
- C14H10ClFO2
- SMILES
- Cc1cccc(OC(=O)c2cccc(Cl)c2F)c1
- Molecular Weight1
- 264.68
- 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 | 0.6305 | Relay (1.0) Calculated Property | |
| ΔfG° | -177.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -405.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.007 | Crippen Calculated Property | |
| McVol | 182.050 | ml/mol | McGowan Calculated Property |
| Pc | 2548.19 | kPa | Joback Calculated Property |
| Inp | 2004.00 | NIST | |
| Tboil | 600.77 | K | Relay (1.0) Calculated Property |
| Tc | 863.26 | K | Relay (1.0) Calculated Property |
| Tfus | 324.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.13; 507.30] | J/mol×K | [701.01; 937.70] | 
|
| Cp,gas | 445.13 | J/mol×K | 701.01 | Joback Calculated Property |
| Cp,gas | 457.90 | J/mol×K | 740.46 | Joback Calculated Property |
| Cp,gas | 469.67 | J/mol×K | 779.91 | Joback Calculated Property |
| Cp,gas | 480.47 | J/mol×K | 819.35 | Joback Calculated Property |
| Cp,gas | 490.32 | J/mol×K | 858.80 | Joback Calculated Property |
| Cp,gas | 499.25 | J/mol×K | 898.25 | Joback Calculated Property |
| Cp,gas | 507.30 | J/mol×K | 937.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 3-methylphenyl ester.
Sources
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