- InChI
- InChI=1S/C18H15F3O2/c1-12-8-13(2)10-16(9-12)23-17(22)7-6-14-4-3-5-15(11-14)18(19,20)21/h3-11H,1-2H3/b7-6+
- InChI Key
- PHEVAQCWROUTOW-VOTSOKGWSA-N
- Formula
- C18H15F3O2
- SMILES
-
Cc1cc(C)cc(OC(=O)C=Cc2cccc(C(F
)(F)F)c2)c1 - Molecular Weight1
- 320.31
- 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° | -438.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -700.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.57 | kJ/mol | Joback Calculated Property |
| log10WS | -5.89 | Crippen Calculated Property | |
| logPoct/wat | 4.941 | Crippen Calculated Property | |
| McVol | 225.410 | ml/mol | McGowan Calculated Property |
| Pc | 1815.41 | kPa | Joback Calculated Property |
| Inp | 2121.00 | NIST | |
| Tboil | 754.57 | K | Joback Calculated Property |
| Tc | 973.81 | K | Joback Calculated Property |
| Tfus | 454.29 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [624.83; 694.99] | J/mol×K | [754.57; 973.81] | 
|
| Cp,gas | 624.83 | J/mol×K | 754.57 | Joback Calculated Property |
| Cp,gas | 638.92 | J/mol×K | 791.11 | Joback Calculated Property |
| Cp,gas | 651.95 | J/mol×K | 827.65 | Joback Calculated Property |
| Cp,gas | 663.99 | J/mol×K | 864.19 | Joback Calculated Property |
| Cp,gas | 675.14 | J/mol×K | 900.73 | Joback Calculated Property |
| Cp,gas | 685.44 | J/mol×K | 937.27 | Joback Calculated Property |
| Cp,gas | 694.99 | J/mol×K | 973.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, 3,5-dimethylphenyl ester.
Sources
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