- InChI
- InChI=1S/C21H27F3O2/c1-2-3-4-5-6-7-8-9-10-16-26-20(25)15-14-18-12-11-13-19(17-18)21(22,23)24/h2,11-15,17H,1,3-10,16H2/b15-14+
- InChI Key
- WGVDTYLVCIVLJL-CCEZHUSRSA-N
- Formula
- C21H27F3O2
- SMILES
-
C=CCCCCCCCCCOC(=O)C=Cc1cccc(C(
F)(F)F)c1 - Molecular Weight1
- 368.43
- 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 | 0.8588 | Relay (1.0) Calculated Property | |
| ΔfG° | -418.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -996.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.569 | Crippen Calculated Property | |
| McVol | 287.140 | ml/mol | McGowan Calculated Property |
| Pc | 1194.00 | kPa | Joback Calculated Property |
| Inp | 2316.00 | NIST | |
| Tboil | 641.49 | K | Relay (1.0) Calculated Property |
| Tc | 814.26 | K | Relay (1.0) Calculated Property |
| Tfus | 317.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.022 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [858.01; 942.21] | J/mol×K | [783.25; 972.34] | 
|
| Cp,gas | 858.01 | J/mol×K | 783.25 | Joback Calculated Property |
| Cp,gas | 874.21 | J/mol×K | 814.77 | Joback Calculated Property |
| Cp,gas | 889.45 | J/mol×K | 846.28 | Joback Calculated Property |
| Cp,gas | 903.82 | J/mol×K | 877.80 | Joback Calculated Property |
| Cp,gas | 917.35 | J/mol×K | 909.31 | Joback Calculated Property |
| Cp,gas | 930.13 | J/mol×K | 940.83 | Joback Calculated Property |
| Cp,gas | 942.21 | J/mol×K | 972.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-(Trifluoromethyl)cinnamic acid, undec-10-enyl ester.
Sources
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