- InChI
- InChI=1S/C11H11F3O3/c1-5(2)17-11(15)6-4-7(12)9(14)10(16-3)8(6)13/h4-5H,1-3H3
- InChI Key
- NWLHVQCFZQCHIA-UHFFFAOYSA-N
- Formula
- C11H11F3O3
- SMILES
- COc1c(F)c(F)cc(C(=O)OC(C)C)c1F
- Molecular Weight1
- 248.20
- 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 | 0.6215 | Relay (... Calculated Property | |
| ΔfG° | -810.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -980.29 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.05 | kJ/mol | Relay (... Calculated Property |
| IE | 8.98 | eV | Relay (... Calculated Property |
| log10WS | -3.89 | Relay (... Calculated Property | |
| logPoct/wat | 2.678 | Crippen Calculated Property | |
| McVol | 160.710 | ml/mol | McGowan Calculated Property |
| Pc | 2265.42 | kPa | Joback Calculated Property |
| Inp | 1376.00 | NIST | |
| Tboil | 495.86 | K | Relay (... Calculated Property |
| Tc | 698.59 | K | Relay (... Calculated Property |
| Tfus | 298.38 | K | Relay (... Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.06; 456.53] | J/mol×K | [593.76; 781.69] | 
|
| Cp,gas | 394.06 | J/mol×K | 593.76 | Joback Calculated Property |
| Cp,gas | 405.76 | J/mol×K | 625.08 | Joback Calculated Property |
| Cp,gas | 416.96 | J/mol×K | 656.40 | Joback Calculated Property |
| Cp,gas | 427.65 | J/mol×K | 687.72 | Joback Calculated Property |
| Cp,gas | 437.81 | J/mol×K | 719.04 | Joback Calculated Property |
| Cp,gas | 447.44 | J/mol×K | 750.36 | Joback Calculated Property |
| Cp,gas | 456.53 | J/mol×K | 781.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, isopropyl ester.
Sources
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