- InChI
- InChI=1S/C17H15F3O2/c1-2-6-12-7-3-4-10-15(12)22-16(21)13-8-5-9-14(11-13)17(18,19)20/h3-5,7-11H,2,6H2,1H3
- InChI Key
- XFRZCFLQFNLQLX-UHFFFAOYSA-N
- Formula
- C17H15F3O2
- SMILES
-
CCCc1ccccc1OC(=O)c1cccc(C(F)(F
)F)c1 - Molecular Weight1
- 308.30
- 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 | 0.7092 | Relay (1.0) Calculated Property | |
| ΔfG° | -517.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.877 | Crippen Calculated Property | |
| McVol | 215.620 | ml/mol | McGowan Calculated Property |
| Pc | 1910.24 | kPa | Joback Calculated Property |
| Inp | 1832.00 | NIST | |
| Tboil | 604.53 | K | Relay (1.0) Calculated Property |
| Tc | 828.83 | K | Relay (1.0) Calculated Property |
| Tfus | 322.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.787 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.42; 668.22] | J/mol×K | [722.55; 936.63] | 
|
| Cp,gas | 596.42 | J/mol×K | 722.55 | Joback Calculated Property |
| Cp,gas | 610.91 | J/mol×K | 758.23 | Joback Calculated Property |
| Cp,gas | 624.30 | J/mol×K | 793.91 | Joback Calculated Property |
| Cp,gas | 636.68 | J/mol×K | 829.59 | Joback Calculated Property |
| Cp,gas | 648.08 | J/mol×K | 865.27 | Joback Calculated Property |
| Cp,gas | 658.58 | J/mol×K | 900.95 | Joback Calculated Property |
| Cp,gas | 668.22 | J/mol×K | 936.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Trifluoromethylbenzoic acid, 2-propylphenyl ester.
Sources
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