- InChI
- InChI=1S/C14H13F3O2/c15-14(16,17)11-4-1-3-10(9-11)7-8-13(18)19-12-5-2-6-12/h1,3-4,7-9,12H,2,5-6H2/b8-7+
- InChI Key
- XTIPEEJGVMTZBI-BQYQJAHWSA-N
- Formula
- C14H13F3O2
- SMILES
-
O=C(C=Cc1cccc(C(F)(F)F)c1)OC1C
CC1 - Molecular Weight1
- 270.25
- 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 | 0.5669 | Relay (1.0) Calculated Property | |
| ΔfG° | -516.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -909.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.814 | Crippen Calculated Property | |
| McVol | 181.950 | ml/mol | McGowan Calculated Property |
| Pc | 2248.26 | kPa | Joback Calculated Property |
| Inp | 1701.00 | NIST | |
| Tboil | 565.05 | K | Relay (1.0) Calculated Property |
| Tc | 775.59 | K | Relay (1.0) Calculated Property |
| Tfus | 299.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.663 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.20; 563.86] | J/mol×K | [637.42; 849.79] | 
|
| Cp,gas | 487.20 | J/mol×K | 637.42 | Joback Calculated Property |
| Cp,gas | 502.53 | J/mol×K | 672.82 | Joback Calculated Property |
| Cp,gas | 516.73 | J/mol×K | 708.21 | Joback Calculated Property |
| Cp,gas | 529.89 | J/mol×K | 743.61 | Joback Calculated Property |
| Cp,gas | 542.08 | J/mol×K | 779.00 | Joback Calculated Property |
| Cp,gas | 553.37 | J/mol×K | 814.40 | Joback Calculated Property |
| Cp,gas | 563.86 | J/mol×K | 849.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-(3-Trifluoromethyl)cinnamic acid, cyclobutyl ester.
Sources
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