- InChI
- InChI=1S/C20H27F3O2/c1-2-3-4-5-6-7-8-9-15-25-19(24)14-13-17-11-10-12-18(16-17)20(21,22)23/h10-14,16H,2-9,15H2,1H3/b14-13+
- InChI Key
- BVYALUOSXKFCHD-BUHFOSPRSA-N
- Formula
- C20H27F3O2
- SMILES
-
CCCCCCCCCCOC(=O)C=Cc1cccc(C(F)
(F)F)c1 - Molecular Weight1
- 356.42
- 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 | 0.8637 | Relay (1.0) Calculated Property | |
| ΔfG° | -514.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1071.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.403 | Crippen Calculated Property | |
| McVol | 277.350 | ml/mol | McGowan Calculated Property |
| Pc | 1239.83 | kPa | Joback Calculated Property |
| Inp | 2219.00 | NIST | |
| Tboil | 619.17 | K | Relay (1.0) Calculated Property |
| Tc | 799.62 | K | Relay (1.0) Calculated Property |
| Tfus | 318.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.013 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [826.13; 911.30] | J/mol×K | [763.69; 950.71] | 
|
| Cp,gas | 826.13 | J/mol×K | 763.69 | Joback Calculated Property |
| Cp,gas | 842.52 | J/mol×K | 794.86 | Joback Calculated Property |
| Cp,gas | 857.96 | J/mol×K | 826.03 | Joback Calculated Property |
| Cp,gas | 872.50 | J/mol×K | 857.20 | Joback Calculated Property |
| Cp,gas | 886.20 | J/mol×K | 888.37 | Joback Calculated Property |
| Cp,gas | 899.11 | J/mol×K | 919.54 | Joback Calculated Property |
| Cp,gas | 911.30 | J/mol×K | 950.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-(Trifluoromethyl)cinnamic acid, decyl ester.
Sources
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