- InChI
- InChI=1S/C21H29F3O2/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/h11-15,17H,2-10,16H2,1H3/b15-14+
- InChI Key
- LKWXCSBKAVHDCK-CCEZHUSRSA-N
- Formula
- C21H29F3O2
- SMILES
-
CCCCCCCCCCCOC(=O)C=Cc1cccc(C(F
)(F)F)c1 - Molecular Weight1
- 370.45
- 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° | -506.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -976.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.64 | kJ/mol | Joback Calculated Property |
| log10WS | -7.28 | Crippen Calculated Property | |
| logPoct/wat | 6.793 | Crippen Calculated Property | |
| McVol | 291.440 | ml/mol | McGowan Calculated Property |
| Pc | 1160.08 | kPa | Joback Calculated Property |
| Inp | 2295.20 | NIST | |
| Tboil | 786.57 | K | Joback Calculated Property |
| Tc | 974.30 | K | Joback Calculated Property |
| Tfus | 436.64 | K | Joback Calculated Property |
| Vc | 1.151 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [884.20; 971.08] | J/mol×K | [786.57; 974.30] | 
|
| Cp,gas | 884.20 | J/mol×K | 786.57 | Joback Calculated Property |
| Cp,gas | 900.91 | J/mol×K | 817.86 | Joback Calculated Property |
| Cp,gas | 916.64 | J/mol×K | 849.15 | Joback Calculated Property |
| Cp,gas | 931.47 | J/mol×K | 880.43 | Joback Calculated Property |
| Cp,gas | 945.45 | J/mol×K | 911.72 | Joback Calculated Property |
| Cp,gas | 958.63 | J/mol×K | 943.01 | Joback Calculated Property |
| Cp,gas | 971.08 | J/mol×K | 974.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-(3-Trifluoromethyl)cinnamin acid, undecyl ester.
Sources
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