- InChI
- InChI=1S/C14H10ClFO3/c1-18-9-5-7-10(8-6-9)19-14(17)11-3-2-4-12(15)13(11)16/h2-8H,1H3
- InChI Key
- LBGISFBWNOLNTA-UHFFFAOYSA-N
- Formula
- C14H10ClFO3
- SMILES
-
COc1ccc(OC(=O)c2cccc(Cl)c2F)cc
1 - Molecular Weight1
- 280.68
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -282.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.69 | Crippen Calculated Property | |
| logPoct/wat | 3.707 | Crippen Calculated Property | |
| McVol | 187.920 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | 2174.00 | NIST | |
| Tboil | 723.43 | K | Joback Calculated Property |
| Tc | 956.74 | K | Joback Calculated Property |
| Tfus | 462.84 | K | Joback Calculated Property |
| Vc | 0.713 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.64; 529.53] | J/mol×K | [723.43; 956.74] | 
|
| Cp,gas | 469.64 | J/mol×K | 723.43 | Joback Calculated Property |
| Cp,gas | 482.10 | J/mol×K | 762.31 | Joback Calculated Property |
| Cp,gas | 493.55 | J/mol×K | 801.20 | Joback Calculated Property |
| Cp,gas | 504.01 | J/mol×K | 840.08 | Joback Calculated Property |
| Cp,gas | 513.49 | J/mol×K | 878.97 | Joback Calculated Property |
| Cp,gas | 521.99 | J/mol×K | 917.85 | Joback Calculated Property |
| Cp,gas | 529.53 | J/mol×K | 956.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 4-methoxyphenyl ester.
Sources
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