- InChI
- InChI=1S/C14H7F5O2/c15-10-2-1-3-12(7-10)21-13(20)8-4-9(14(17,18)19)6-11(16)5-8/h1-7H
- InChI Key
- WVCHRWJHDOUUDT-UHFFFAOYSA-N
- Formula
- C14H7F5O2
- SMILES
-
O=C(Oc1cccc(F)c1)c1cc(F)cc(C(F
)(F)F)c1 - Molecular Weight1
- 302.20
- 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 | 0.6480 | Relay (1.0) Calculated Property | |
| ΔfG° | -942.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1165.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.203 | Crippen Calculated Property | |
| McVol | 176.890 | ml/mol | McGowan Calculated Property |
| Pc | 2256.81 | kPa | Joback Calculated Property |
| Inp | 1531.00 | NIST | |
| Tboil | 554.02 | K | Relay (1.0) Calculated Property |
| Tc | 799.65 | K | Relay (1.0) Calculated Property |
| Tfus | 324.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.657 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.51; 515.17] | J/mol×K | [657.43; 864.10] | 
|
| Cp,gas | 456.51 | J/mol×K | 657.43 | Joback Calculated Property |
| Cp,gas | 468.38 | J/mol×K | 691.87 | Joback Calculated Property |
| Cp,gas | 479.35 | J/mol×K | 726.32 | Joback Calculated Property |
| Cp,gas | 489.48 | J/mol×K | 760.76 | Joback Calculated Property |
| Cp,gas | 498.79 | J/mol×K | 795.21 | Joback Calculated Property |
| Cp,gas | 507.35 | J/mol×K | 829.65 | Joback Calculated Property |
| Cp,gas | 515.17 | J/mol×K | 864.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-5-trifluoromethylbenzoic acid, 3-fluorophenyl ester.
Sources
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