- InChI
- InChI=1S/C28H43F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-33-27(32)22-21-25-19-18-20-26(24-25)28(29,30)31/h18-22,24H,2-17,23H2,1H3/b22-21+
- InChI Key
- BFSFHQUDZLDFAY-QURGRASLSA-N
- Formula
- C28H43F3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C=Cc1c
ccc(C(F)(F)F)c1 - Molecular Weight1
- 468.63
- 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° | -447.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1120.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.23 | kJ/mol | Joback Calculated Property |
| log10WS | -10.21 | Crippen Calculated Property | |
| logPoct/wat | 9.523 | Crippen Calculated Property | |
| McVol | 390.070 | ml/mol | McGowan Calculated Property |
| Pc | 768.19 | kPa | Joback Calculated Property |
| Inp | 3060.00 | NIST | |
| Tboil | 946.73 | K | Joback Calculated Property |
| Tc | 1160.79 | K | Joback Calculated Property |
| Tfus | 515.53 | K | Joback Calculated Property |
| Vc | 1.542 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1312.74; 1415.87] | J/mol×K | [946.73; 1160.79] | 
|
| Cp,gas | 1312.74 | J/mol×K | 946.73 | Joback Calculated Property |
| Cp,gas | 1332.59 | J/mol×K | 982.41 | Joback Calculated Property |
| Cp,gas | 1351.23 | J/mol×K | 1018.08 | Joback Calculated Property |
| Cp,gas | 1368.78 | J/mol×K | 1053.76 | Joback Calculated Property |
| Cp,gas | 1385.33 | J/mol×K | 1089.44 | Joback Calculated Property |
| Cp,gas | 1400.99 | J/mol×K | 1125.12 | Joback Calculated Property |
| Cp,gas | 1415.87 | J/mol×K | 1160.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-(Trifluoromethyl)cinnamic acid, octadecyl ester.
Sources
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