- InChI
- InChI=1S/C16H13F3O3/c1-8-4-9(2)6-10(5-8)22-16(20)11-7-12(17)14(19)15(21-3)13(11)18/h4-7H,1-3H3
- InChI Key
- CTRNJGBDFLTKJH-UHFFFAOYSA-N
- Formula
- C16H13F3O3
- SMILES
-
COc1c(F)c(F)cc(C(=O)Oc2cc(C)cc
(C)c2)c1F - Molecular Weight1
- 310.27
- 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 | 0.7655 | Relay (... Calculated Property | |
| ΔfG° | -672.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -855.52 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.76 | kJ/mol | Relay (... Calculated Property |
| IE | 8.14 | eV | Relay (... Calculated Property |
| log10WS | -5.78 | Relay (... Calculated Property | |
| logPoct/wat | 3.949 | Crippen Calculated Property | |
| McVol | 207.400 | ml/mol | McGowan Calculated Property |
| Pc | 1910.24 | kPa | Joback Calculated Property |
| Inp | 2118.00 | NIST | |
| Tboil | 596.82 | K | Relay (... Calculated Property |
| Tc | 849.38 | K | Relay (... Calculated Property |
| Tfus | 355.83 | K | Relay (... Calculated Property |
| Vc | 0.773 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [562.47; 626.82] | J/mol×K | [745.24; 953.69] | 
|
| Cp,gas | 562.47 | J/mol×K | 745.24 | Joback Calculated Property |
| Cp,gas | 575.41 | J/mol×K | 779.98 | Joback Calculated Property |
| Cp,gas | 587.47 | J/mol×K | 814.72 | Joback Calculated Property |
| Cp,gas | 598.65 | J/mol×K | 849.47 | Joback Calculated Property |
| Cp,gas | 608.94 | J/mol×K | 884.21 | Joback Calculated Property |
| Cp,gas | 618.33 | J/mol×K | 918.95 | Joback Calculated Property |
| Cp,gas | 626.82 | J/mol×K | 953.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,5-dimethylphenyl ester.
Sources
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