- InChI
- InChI=1S/C23H33F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-28-22(27)17-16-20-14-13-15-21(19-20)23(24,25)26/h13-17,19H,2-12,18H2,1H3/b17-16+
- InChI Key
- OEPZSYJJQMQICC-WUKNDPDISA-N
- Formula
- C23H33F3O2
- SMILES
-
CCCCCCCCCCCCCOC(=O)C=Cc1cccc(C
(F)(F)F)c1 - Molecular Weight1
- 398.50
- 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).
- 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 | 0.9774 | Relay (1.0) Calculated Property | |
| ΔfG° | -489.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1130.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.573 | Crippen Calculated Property | |
| McVol | 319.620 | ml/mol | McGowan Calculated Property |
| Pc | 1022.04 | kPa | Joback Calculated Property |
| Tboil | 646.79 | K | Relay (1.0) Calculated Property |
| Tc | 828.49 | K | Relay (1.0) Calculated Property |
| Tfus | 324.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.176 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1002.98; 1093.47] | J/mol×K | [832.33; 1023.46] | 
|
| Cp,gas | 1002.98 | J/mol×K | 832.33 | Joback Calculated Property |
| Cp,gas | 1020.36 | J/mol×K | 864.18 | Joback Calculated Property |
| Cp,gas | 1036.74 | J/mol×K | 896.04 | Joback Calculated Property |
| Cp,gas | 1052.18 | J/mol×K | 927.89 | Joback Calculated Property |
| Cp,gas | 1066.73 | J/mol×K | 959.75 | Joback Calculated Property |
| Cp,gas | 1080.48 | J/mol×K | 991.60 | Joback Calculated Property |
| Cp,gas | 1093.47 | J/mol×K | 1023.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-(Trifluoromethyl)cinnamic acid, tridecyl ester.
Sources
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