- InChI
- InChI=1S/C12H14F2O2/c1-7(2)8(3)16-12(15)10-5-4-9(13)6-11(10)14/h4-8H,1-3H3
- InChI Key
- CHECDZKHGXJPLQ-UHFFFAOYSA-N
- Formula
- C12H14F2O2
- SMILES
- CC(C)C(C)OC(=O)c1ccc(F)cc1F
- Molecular Weight1
- 228.24
- 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 | 0.5602 | Relay (... Calculated Property | |
| ΔfG° | -485.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -762.22 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.23 | kJ/mol | Relay (... Calculated Property |
| IE | 9.30 | eV | Relay (... Calculated Property |
| log10WS | -4.08 | Relay (... Calculated Property | |
| logPoct/wat | 3.166 | Crippen Calculated Property | |
| McVol | 167.160 | ml/mol | McGowan Calculated Property |
| Pc | 2274.07 | kPa | Joback Calculated Property |
| Inp | 1354.00 | NIST | |
| Tboil | 506.68 | K | Relay (... Calculated Property |
| Tc | 705.16 | K | Relay (... Calculated Property |
| Tfus | 273.94 | K | Relay (... Calculated Property |
| Vc | 0.614 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.56; 483.66] | J/mol×K | [584.55; 781.81] | 
|
| Cp,gas | 410.56 | J/mol×K | 584.55 | Joback Calculated Property |
| Cp,gas | 424.52 | J/mol×K | 617.43 | Joback Calculated Property |
| Cp,gas | 437.76 | J/mol×K | 650.30 | Joback Calculated Property |
| Cp,gas | 450.28 | J/mol×K | 683.18 | Joback Calculated Property |
| Cp,gas | 462.10 | J/mol×K | 716.06 | Joback Calculated Property |
| Cp,gas | 473.22 | J/mol×K | 748.93 | Joback Calculated Property |
| Cp,gas | 483.66 | J/mol×K | 781.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, 3-methylbutyl-2 ester.
Sources
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