- InChI
- InChI=1S/C14H15F3O2/c1-2-3-9-19-13(18)8-7-11-5-4-6-12(10-11)14(15,16)17/h4-8,10H,2-3,9H2,1H3/b8-7+
- InChI Key
- RDQYFKFIUCPJLN-BQYQJAHWSA-N
- Formula
- C14H15F3O2
- SMILES
-
CCCCOC(=O)C=Cc1cccc(C(F)(F)F)c
1 - Molecular Weight1
- 272.26
- 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 | 0.6079 | Relay (1.0) Calculated Property | |
| ΔfG° | -565.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -954.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.062 | Crippen Calculated Property | |
| McVol | 192.810 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | 1624.00 | NIST | |
| Tboil | 546.30 | K | Relay (1.0) Calculated Property |
| Tc | 729.06 | K | Relay (1.0) Calculated Property |
| Tfus | 298.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.687 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.19; 573.15] | J/mol×K | [626.41; 819.86] | 
|
| Cp,gas | 500.19 | J/mol×K | 626.41 | Joback Calculated Property |
| Cp,gas | 514.41 | J/mol×K | 658.65 | Joback Calculated Property |
| Cp,gas | 527.75 | J/mol×K | 690.89 | Joback Calculated Property |
| Cp,gas | 540.24 | J/mol×K | 723.14 | Joback Calculated Property |
| Cp,gas | 551.95 | J/mol×K | 755.38 | Joback Calculated Property |
| Cp,gas | 562.90 | J/mol×K | 787.62 | Joback Calculated Property |
| Cp,gas | 573.15 | J/mol×K | 819.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-(Trifluoromethyl)cinnamic acid, butyl ester.
Sources
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