- InChI
- InChI=1S/C13HCl4F5O2/c14-2-1-3(15)12(6(17)5(2)16)24-13(23)4-7(18)9(20)11(22)10(21)8(4)19/h1H
- InChI Key
- CDGADYJJBKICNY-UHFFFAOYSA-N
- Formula
- C13HCl4F5O2
- SMILES
-
O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)c1
c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 425.95
- 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° | -1058.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1230.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.65 | kJ/mol | Joback Calculated Property |
| log10WS | -7.96 | Crippen Calculated Property | |
| logPoct/wat | 6.215 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 1947.51 | kPa | Joback Calculated Property |
| Inp | 2110.00 | NIST | |
| Tboil | 817.38 | K | Joback Calculated Property |
| Tc | 1035.08 | K | Joback Calculated Property |
| Tfus | 596.58 | K | Joback Calculated Property |
| Vc | 0.858 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.73; 504.71] | J/mol×K | [817.38; 1035.08] | 
|
| Cp,gas | 474.73 | J/mol×K | 817.38 | Joback Calculated Property |
| Cp,gas | 481.41 | J/mol×K | 853.66 | Joback Calculated Property |
| Cp,gas | 487.43 | J/mol×K | 889.95 | Joback Calculated Property |
| Cp,gas | 492.78 | J/mol×K | 926.23 | Joback Calculated Property |
| Cp,gas | 497.45 | J/mol×K | 962.51 | Joback Calculated Property |
| Cp,gas | 501.43 | J/mol×K | 998.79 | Joback Calculated Property |
| Cp,gas | 504.71 | J/mol×K | 1035.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester.
Sources
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