- InChI
- InChI=1S/C13H4Cl4F2O2/c14-7-4-8(15)12(11(17)10(7)16)21-13(20)6-2-1-5(18)3-9(6)19/h1-4H
- InChI Key
- JEJOXPHAGVGUNT-UHFFFAOYSA-N
- Formula
- C13H4Cl4F2O2
- SMILES
-
O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)c1
ccc(F)cc1F - Molecular Weight1
- 371.98
- 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° | -445.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.96 | Crippen Calculated Property | |
| logPoct/wat | 5.798 | Crippen Calculated Property | |
| McVol | 206.450 | ml/mol | McGowan Calculated Property |
| Pc | 2298.11 | kPa | Joback Calculated Property |
| Inp | 2247.00 | NIST | |
| Tboil | 804.63 | K | Joback Calculated Property |
| Tc | 1044.95 | K | Joback Calculated Property |
| Tfus | 557.25 | K | Joback Calculated Property |
| Vc | 0.803 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.01; 494.03] | J/mol×K | [804.63; 1044.95] | 
|
| Cp,gas | 458.01 | J/mol×K | 804.63 | Joback Calculated Property |
| Cp,gas | 466.03 | J/mol×K | 844.68 | Joback Calculated Property |
| Cp,gas | 473.23 | J/mol×K | 884.74 | Joback Calculated Property |
| Cp,gas | 479.62 | J/mol×K | 924.79 | Joback Calculated Property |
| Cp,gas | 485.20 | J/mol×K | 964.84 | Joback Calculated Property |
| Cp,gas | 490.00 | J/mol×K | 1004.89 | Joback Calculated Property |
| Cp,gas | 494.03 | J/mol×K | 1044.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester.
Sources
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