- InChI
- InChI=1S/C13H2Cl3F5O2/c14-3-1-5(16)6(2-4(3)15)23-13(22)7-8(17)10(19)12(21)11(20)9(7)18/h1-2H
- InChI Key
- MFYDGNNHFUZELW-UHFFFAOYSA-N
- Formula
- C13H2Cl3F5O2
- SMILES
-
O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1c(F)
c(F)c(F)c(F)c1F - Molecular Weight1
- 391.50
- 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 | 0.7421 | Relay (1.0) Calculated Property | |
| ΔfG° | -1037.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -987.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.562 | Crippen Calculated Property | |
| McVol | 199.520 | ml/mol | McGowan Calculated Property |
| Pc | 2040.07 | kPa | Joback Calculated Property |
| Inp | 1963.00 | NIST | |
| Tboil | 575.15 | K | Relay (1.0) Calculated Property |
| Tc | 854.03 | K | Relay (1.0) Calculated Property |
| Tfus | 357.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.731 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [459.13; 495.07] | J/mol×K | [774.97; 988.56] | 
|
| Cp,gas | 459.13 | J/mol×K | 774.97 | Joback Calculated Property |
| Cp,gas | 466.76 | J/mol×K | 810.57 | Joback Calculated Property |
| Cp,gas | 473.73 | J/mol×K | 846.17 | Joback Calculated Property |
| Cp,gas | 480.05 | J/mol×K | 881.77 | Joback Calculated Property |
| Cp,gas | 485.72 | J/mol×K | 917.36 | Joback Calculated Property |
| Cp,gas | 490.72 | J/mol×K | 952.96 | Joback Calculated Property |
| Cp,gas | 495.07 | J/mol×K | 988.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, 2,4,5-trichlorophenyl ester.
Sources
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