- InChI
- InChI=1S/C13H15F3O2/c1-8(2)9(3)18-12(17)10-5-4-6-11(7-10)13(14,15)16/h4-9H,1-3H3
- InChI Key
- FTQWVKYCCYWCIQ-UHFFFAOYSA-N
- Formula
- C13H15F3O2
- SMILES
-
CC(C)C(C)OC(=O)c1cccc(C(F)(F)F
)c1 - Molecular Weight1
- 260.25
- 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 | 0.5682 | Relay (... Calculated Property | |
| ΔfG° | -659.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1051.17 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.78 | kJ/mol | Relay (... Calculated Property |
| IE | 9.73 | eV | Relay (... Calculated Property |
| log10WS | -4.10 | Relay (... Calculated Property | |
| logPoct/wat | 3.907 | Crippen Calculated Property | |
| McVol | 183.020 | ml/mol | McGowan Calculated Property |
| Pc | 2058.62 | kPa | Joback Calculated Property |
| Inp | 1338.00 | NIST | |
| Tboil | 512.72 | K | Relay (... Calculated Property |
| Tc | 708.68 | K | Relay (... Calculated Property |
| Tfus | 312.09 | K | Relay (... Calculated Property |
| Vc | 0.667 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.39; 547.73] | J/mol×K | [598.49; 794.06] | 
|
| Cp,gas | 471.39 | J/mol×K | 598.49 | Joback Calculated Property |
| Cp,gas | 486.27 | J/mol×K | 631.09 | Joback Calculated Property |
| Cp,gas | 500.24 | J/mol×K | 663.68 | Joback Calculated Property |
| Cp,gas | 513.33 | J/mol×K | 696.28 | Joback Calculated Property |
| Cp,gas | 525.59 | J/mol×K | 728.87 | Joback Calculated Property |
| Cp,gas | 537.05 | J/mol×K | 761.47 | Joback Calculated Property |
| Cp,gas | 547.73 | J/mol×K | 794.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Trifluoromethylbenzoic acid, 3-methylbut-2-yl ester.
Sources
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