- InChI
- InChI=1S/C14H7F5O3/c1-21-13-11(18)9(5-10(17)12(13)19)14(20)22-8-3-6(15)2-7(16)4-8/h2-5H,1H3
- InChI Key
- ZKHDHVKIKPMOFG-UHFFFAOYSA-N
- Formula
- C14H7F5O3
- SMILES
-
COc1c(F)c(F)cc(C(=O)Oc2cc(F)cc
(F)c2)c1F - Molecular Weight1
- 318.20
- 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° | -1078.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1285.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.76 | kJ/mol | Joback Calculated Property |
| log10WS | -5.34 | Crippen Calculated Property | |
| logPoct/wat | 3.610 | Crippen Calculated Property | |
| McVol | 182.760 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | 1749.00 | NIST | |
| Tboil | 698.02 | K | Joback Calculated Property |
| Tc | 895.90 | K | Joback Calculated Property |
| Tfus | 472.84 | K | Joback Calculated Property |
| Vc | 0.736 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.05; 529.02] | J/mol×K | [698.02; 895.90] | 
|
| Cp,gas | 474.05 | J/mol×K | 698.02 | Joback Calculated Property |
| Cp,gas | 484.93 | J/mol×K | 731.00 | Joback Calculated Property |
| Cp,gas | 495.14 | J/mol×K | 763.98 | Joback Calculated Property |
| Cp,gas | 504.66 | J/mol×K | 796.96 | Joback Calculated Property |
| Cp,gas | 513.49 | J/mol×K | 829.94 | Joback Calculated Property |
| Cp,gas | 521.61 | J/mol×K | 862.92 | Joback Calculated Property |
| Cp,gas | 529.02 | J/mol×K | 895.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,5-difluophenyl ester.
Sources
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