- InChI
- InChI=1S/C18H21F3O2/c1-3-4-5-6-8-14(2)23-17(22)12-11-15-9-7-10-16(13-15)18(19,20)21/h6-14H,3-5H2,1-2H3/b8-6+,12-11+
- InChI Key
- WGSNWDBLWAUYTH-ZTUQJBCJSA-N
- Formula
- C18H21F3O2
- SMILES
-
CCCCC=CC(C)OC(=O)C=Cc1cccc(C(F
)(F)F)c1 - Molecular Weight1
- 326.35
- 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° | -454.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -802.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.54 | kJ/mol | Joback Calculated Property |
| log10WS | -5.99 | Crippen Calculated Property | |
| logPoct/wat | 5.397 | Crippen Calculated Property | |
| McVol | 244.870 | ml/mol | McGowan Calculated Property |
| Pc | 1493.04 | kPa | Joback Calculated Property |
| Inp | 1928.00 | NIST | |
| Tboil | 721.65 | K | Joback Calculated Property |
| Tc | 917.27 | K | Joback Calculated Property |
| Tfus | 382.75 | K | Joback Calculated Property |
| Vc | 0.957 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [690.00; 769.82] | J/mol×K | [721.65; 917.27] | 
|
| Cp,gas | 690.00 | J/mol×K | 721.65 | Joback Calculated Property |
| Cp,gas | 705.48 | J/mol×K | 754.25 | Joback Calculated Property |
| Cp,gas | 720.00 | J/mol×K | 786.86 | Joback Calculated Property |
| Cp,gas | 733.62 | J/mol×K | 819.46 | Joback Calculated Property |
| Cp,gas | 746.42 | J/mol×K | 852.06 | Joback Calculated Property |
| Cp,gas | 758.47 | J/mol×K | 884.66 | Joback Calculated Property |
| Cp,gas | 769.82 | J/mol×K | 917.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, oct-3-en-2-yl ester.
Sources
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