- InChI
- InChI=1S/C23H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-28-22(27)17-16-20-14-13-15-21(19-20)23(24,25)26/h13-17,19H,2-10,18H2,1H3/b17-16+
- InChI Key
- PEJDJMJWHWLNBE-WUKNDPDISA-N
- Formula
- C23H29F3O2
- SMILES
-
CCCCCCCCCCC#CCOC(=O)C=Cc1cccc(
C(F)(F)F)c1 - Molecular Weight1
- 394.47
- 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 | 0.8650 | Relay (1.0) Calculated Property | |
| ΔfG° | -286.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -860.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.796 | Crippen Calculated Property | |
| McVol | 311.020 | ml/mol | McGowan Calculated Property |
| Pc | 1135.20 | kPa | Joback Calculated Property |
| Inp | 2665.00 | NIST | |
| Tboil | 636.82 | K | Relay (1.0) Calculated Property |
| Tc | 838.41 | K | Relay (1.0) Calculated Property |
| Tfus | 326.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.105 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [952.22; 1038.13] | J/mol×K | [841.33; 1041.14] | 
|
| Cp,gas | 952.22 | J/mol×K | 841.33 | Joback Calculated Property |
| Cp,gas | 968.80 | J/mol×K | 874.63 | Joback Calculated Property |
| Cp,gas | 984.39 | J/mol×K | 907.93 | Joback Calculated Property |
| Cp,gas | 999.04 | J/mol×K | 941.24 | Joback Calculated Property |
| Cp,gas | 1012.84 | J/mol×K | 974.54 | Joback Calculated Property |
| Cp,gas | 1025.85 | J/mol×K | 1007.84 | Joback Calculated Property |
| Cp,gas | 1038.13 | J/mol×K | 1041.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, tridec-2-ynyl ester.
Sources
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