- InChI
- InChI=1S/C14H8ClF3O3/c1-20-13-11(17)9(6-10(16)12(13)18)14(19)21-8-4-2-7(15)3-5-8/h2-6H,1H3
- InChI Key
- KWOJHFPOKLTYKN-UHFFFAOYSA-N
- Formula
- C14H8ClF3O3
- SMILES
-
COc1c(F)c(F)cc(C(=O)Oc2ccc(Cl)
cc2)c1F - Molecular Weight1
- 316.66
- 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° | -691.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -897.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.12 | kJ/mol | Joback Calculated Property |
| log10WS | -5.36 | Crippen Calculated Property | |
| logPoct/wat | 3.985 | Crippen Calculated Property | |
| McVol | 191.460 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Inp | 2033.00 | NIST | |
| Tboil | 731.93 | K | Joback Calculated Property |
| Tc | 948.21 | K | Joback Calculated Property |
| Tfus | 489.06 | K | Joback Calculated Property |
| Vc | 0.749 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.52; 536.43] | J/mol×K | [731.93; 948.21] | 
|
| Cp,gas | 482.52 | J/mol×K | 731.93 | Joback Calculated Property |
| Cp,gas | 493.59 | J/mol×K | 767.98 | Joback Calculated Property |
| Cp,gas | 503.83 | J/mol×K | 804.02 | Joback Calculated Property |
| Cp,gas | 513.24 | J/mol×K | 840.07 | Joback Calculated Property |
| Cp,gas | 521.81 | J/mol×K | 876.12 | Joback Calculated Property |
| Cp,gas | 529.54 | J/mol×K | 912.17 | Joback Calculated Property |
| Cp,gas | 536.43 | J/mol×K | 948.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-chlorophenyl ester.
Sources
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