- InChI
- InChI=1S/C18H23F3O2/c1-2-3-4-5-6-7-13-23-17(22)12-11-15-9-8-10-16(14-15)18(19,20)21/h8-12,14H,2-7,13H2,1H3/b12-11+
- InChI Key
- PUJCNFSVCZJTQA-VAWYXSNFSA-N
- Formula
- C18H23F3O2
- SMILES
-
CCCCCCCCOC(=O)C=Cc1cccc(C(F)(F
)F)c1 - Molecular Weight1
- 328.37
- 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° | -531.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -914.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.97 | kJ/mol | Joback Calculated Property |
| log10WS | -6.03 | Crippen Calculated Property | |
| logPoct/wat | 5.622 | Crippen Calculated Property | |
| McVol | 249.170 | ml/mol | McGowan Calculated Property |
| Pc | 1426.15 | kPa | Joback Calculated Property |
| Inp | 1926.00 | NIST | |
| Tboil | 717.93 | K | Joback Calculated Property |
| Tc | 905.27 | K | Joback Calculated Property |
| Tfus | 402.83 | K | Joback Calculated Property |
| Vc | 0.983 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [712.92; 794.62] | J/mol×K | [717.93; 905.27] | 
|
| Cp,gas | 712.92 | J/mol×K | 717.93 | Joback Calculated Property |
| Cp,gas | 728.68 | J/mol×K | 749.15 | Joback Calculated Property |
| Cp,gas | 743.52 | J/mol×K | 780.38 | Joback Calculated Property |
| Cp,gas | 757.48 | J/mol×K | 811.60 | Joback Calculated Property |
| Cp,gas | 770.62 | J/mol×K | 842.82 | Joback Calculated Property |
| Cp,gas | 782.98 | J/mol×K | 874.04 | Joback Calculated Property |
| Cp,gas | 794.62 | J/mol×K | 905.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-(Trifluoromethyl)cinnamic acid, octyl ester.
Sources
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