- InChI
- InChI=1S/C13H13F3O2/c1-9(2)7-8-18-12(17)10-5-3-4-6-11(10)13(14,15)16/h3-7H,8H2,1-2H3
- InChI Key
- KUVKLHLBMNFBND-UHFFFAOYSA-N
- Formula
- C13H13F3O2
- SMILES
- CC(C)=CCOC(=O)c1ccccc1C(F)(F)F
- Molecular Weight1
- 258.24
- 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 | 0.5440 | Relay (1.0) Calculated Property | |
| ΔfG° | -582.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -929.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.828 | Crippen Calculated Property | |
| McVol | 178.720 | ml/mol | McGowan Calculated Property |
| Pc | 2137.41 | kPa | Joback Calculated Property |
| Inp | 1447.00 | NIST | |
| Tboil | 524.38 | K | Relay (1.0) Calculated Property |
| Tc | 717.24 | K | Relay (1.0) Calculated Property |
| Tfus | 269.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.640 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [450.07; 520.95] | J/mol×K | [603.41; 802.42] | 
|
| Cp,gas | 450.07 | J/mol×K | 603.41 | Joback Calculated Property |
| Cp,gas | 463.97 | J/mol×K | 636.58 | Joback Calculated Property |
| Cp,gas | 476.97 | J/mol×K | 669.75 | Joback Calculated Property |
| Cp,gas | 489.12 | J/mol×K | 702.92 | Joback Calculated Property |
| Cp,gas | 500.47 | J/mol×K | 736.09 | Joback Calculated Property |
| Cp,gas | 511.06 | J/mol×K | 769.25 | Joback Calculated Property |
| Cp,gas | 520.95 | J/mol×K | 802.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Trifluoromethylbenzoic acid, 3-methylbut-2-enyl ester.
Sources
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