- InChI
- InChI=1S/C12H14F2O2/c1-12(2,3)7-16-11(15)8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3
- InChI Key
- COXAIHRRWNVVKY-UHFFFAOYSA-N
- Formula
- C12H14F2O2
- SMILES
- CC(C)(C)COC(=O)c1ccc(F)c(F)c1
- 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 | 0.5861 | Relay (... Calculated Property | |
| ΔfG° | -477.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.06 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.92 | kJ/mol | Relay (... Calculated Property |
| IE | 9.47 | eV | Relay (... Calculated Property |
| log10WS | -4.54 | Relay (... Calculated Property | |
| logPoct/wat | 3.168 | Crippen Calculated Property | |
| McVol | 167.160 | ml/mol | McGowan Calculated Property |
| Pc | 2280.59 | kPa | Joback Calculated Property |
| Inp | 1299.00 | NIST | |
| Tboil | 513.73 | K | Relay (... Calculated Property |
| Tc | 703.99 | K | Relay (... Calculated Property |
| Tfus | 335.00 | K | Relay (... Calculated Property |
| Vc | 0.621 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.12; 485.68] | J/mol×K | [582.20; 782.68] | 
|
| Cp,gas | 413.12 | J/mol×K | 582.20 | Joback Calculated Property |
| Cp,gas | 427.17 | J/mol×K | 615.61 | Joback Calculated Property |
| Cp,gas | 440.40 | J/mol×K | 649.03 | Joback Calculated Property |
| Cp,gas | 452.84 | J/mol×K | 682.44 | Joback Calculated Property |
| Cp,gas | 464.51 | J/mol×K | 715.85 | Joback Calculated Property |
| Cp,gas | 475.45 | J/mol×K | 749.27 | Joback Calculated Property |
| Cp,gas | 485.68 | J/mol×K | 782.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, neopentyl ester.
Sources
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