- InChI
- InChI=1S/C13H6Cl3FO2/c14-9-5-11(16)12(6-10(9)15)19-13(18)7-2-1-3-8(17)4-7/h1-6H
- InChI Key
- MTATVXYDWFMEDI-UHFFFAOYSA-N
- Formula
- C13H6Cl3FO2
- SMILES
-
O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1cccc
(F)c1 - Molecular Weight1
- 319.54
- 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° | -219.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -372.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.23 | kJ/mol | Joback Calculated Property |
| log10WS | -5.95 | Crippen Calculated Property | |
| logPoct/wat | 5.005 | Crippen Calculated Property | |
| McVol | 192.440 | ml/mol | McGowan Calculated Property |
| Pc | 2566.29 | kPa | Joback Calculated Property |
| Inp | 2169.00 | NIST | |
| Tboil | 757.97 | K | Joback Calculated Property |
| Tc | 1004.92 | K | Joback Calculated Property |
| Tfus | 501.70 | K | Joback Calculated Property |
| Vc | 0.737 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.57; 480.80] | J/mol×K | [757.97; 1004.92] | 
|
| Cp,gas | 435.57 | J/mol×K | 757.97 | Joback Calculated Property |
| Cp,gas | 445.33 | J/mol×K | 799.13 | Joback Calculated Property |
| Cp,gas | 454.17 | J/mol×K | 840.29 | Joback Calculated Property |
| Cp,gas | 462.11 | J/mol×K | 881.45 | Joback Calculated Property |
| Cp,gas | 469.18 | J/mol×K | 922.61 | Joback Calculated Property |
| Cp,gas | 475.40 | J/mol×K | 963.76 | Joback Calculated Property |
| Cp,gas | 480.80 | J/mol×K | 1004.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluorobenzoic acid, 2,4,5-trichlorophenyl ester.
Sources
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