- InChI
- InChI=1S/C13H3ClF6O2/c14-5-3-1-2-4(6(5)15)13(21)22-12-10(19)8(17)7(16)9(18)11(12)20/h1-3H
- InChI Key
- LEMGXRHAERNQBD-UHFFFAOYSA-N
- Formula
- C13H3ClF6O2
- SMILES
-
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1c
ccc(Cl)c1F - Molecular Weight1
- 340.61
- 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° | -1198.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1356.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.36 | kJ/mol | Joback Calculated Property |
| log10WS | -6.23 | Crippen Calculated Property | |
| logPoct/wat | 4.394 | Crippen Calculated Property | |
| McVol | 176.810 | ml/mol | McGowan Calculated Property |
| Pc | 2123.64 | kPa | Joback Calculated Property |
| Inp | 1686.00 | NIST | |
| Tboil | 694.40 | K | Joback Calculated Property |
| Tc | 892.68 | K | Joback Calculated Property |
| Tfus | 482.37 | K | Joback Calculated Property |
| Vc | 0.729 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.21; 474.29] | J/mol×K | [694.40; 892.68] | 
|
| Cp,gas | 429.21 | J/mol×K | 694.40 | Joback Calculated Property |
| Cp,gas | 438.18 | J/mol×K | 727.45 | Joback Calculated Property |
| Cp,gas | 446.58 | J/mol×K | 760.49 | Joback Calculated Property |
| Cp,gas | 454.38 | J/mol×K | 793.54 | Joback Calculated Property |
| Cp,gas | 461.60 | J/mol×K | 826.59 | Joback Calculated Property |
| Cp,gas | 468.24 | J/mol×K | 859.64 | Joback Calculated Property |
| Cp,gas | 474.29 | J/mol×K | 892.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, pentafluorophenyl ester.
Sources
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