- InChI
- InChI=1S/C12H12F2O2/c1-8(2)6-7-16-12(15)11-9(13)4-3-5-10(11)14/h3-6H,7H2,1-2H3
- InChI Key
- YQNYJIWZPQVFMT-UHFFFAOYSA-N
- Formula
- C12H12F2O2
- SMILES
- CC(C)=CCOC(=O)c1c(F)cccc1F
- Molecular Weight1
- 226.22
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -408.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 3.088 | Crippen Calculated Property | |
| McVol | 162.860 | ml/mol | McGowan Calculated Property |
| Pc | 2365.67 | kPa | Joback Calculated Property |
| Inp | 1481.30 | NIST | |
| Tboil | 589.47 | K | Joback Calculated Property |
| Tc | 790.29 | K | Joback Calculated Property |
| Tfus | 330.76 | K | Joback Calculated Property |
| Vc | 0.640 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.54; 457.13] | J/mol×K | [589.47; 790.29] | 
|
| Cp,gas | 389.54 | J/mol×K | 589.47 | Joback Calculated Property |
| Cp,gas | 402.53 | J/mol×K | 622.94 | Joback Calculated Property |
| Cp,gas | 414.79 | J/mol×K | 656.41 | Joback Calculated Property |
| Cp,gas | 426.36 | J/mol×K | 689.88 | Joback Calculated Property |
| Cp,gas | 437.26 | J/mol×K | 723.35 | Joback Calculated Property |
| Cp,gas | 447.51 | J/mol×K | 756.82 | Joback Calculated Property |
| Cp,gas | 457.13 | J/mol×K | 790.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluorobenzoic acid, 3-methylbut-2-enyl ester.
Sources
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