- InChI
- InChI=1S/C13H14F4O2/c1-12(2,3)7-19-11(18)9-5-4-8(14)6-10(9)13(15,16)17/h4-6H,7H2,1-3H3
- InChI Key
- FYMAZHRUKGZZEQ-UHFFFAOYSA-N
- Formula
- C13H14F4O2
- SMILES
-
CC(C)(C)COC(=O)c1ccc(F)cc1C(F)
(F)F - Molecular Weight1
- 278.24
- 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 | 0.6071 | Relay (1.0) Calculated Property | |
| ΔfG° | -855.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1249.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.047 | Crippen Calculated Property | |
| McVol | 184.790 | ml/mol | McGowan Calculated Property |
| Pc | 1956.14 | kPa | Joback Calculated Property |
| Inp | 1288.00 | NIST | |
| Tboil | 517.10 | K | Relay (1.0) Calculated Property |
| Tc | 700.33 | K | Relay (1.0) Calculated Property |
| Tfus | 329.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.691 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.60; 553.33] | J/mol×K | [600.39; 791.41] | 
|
| Cp,gas | 481.60 | J/mol×K | 600.39 | Joback Calculated Property |
| Cp,gas | 495.65 | J/mol×K | 632.23 | Joback Calculated Property |
| Cp,gas | 508.79 | J/mol×K | 664.06 | Joback Calculated Property |
| Cp,gas | 521.09 | J/mol×K | 695.90 | Joback Calculated Property |
| Cp,gas | 532.59 | J/mol×K | 727.74 | Joback Calculated Property |
| Cp,gas | 543.32 | J/mol×K | 759.58 | Joback Calculated Property |
| Cp,gas | 553.33 | J/mol×K | 791.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-2-trifluoromethylbenzoic acid, neopentyl ester.
Sources
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