- InChI
- InChI=1S/C9H8F2O2/c1-5-3-4-6(10)7(8(5)11)9(12)13-2/h3-4H,1-2H3
- InChI Key
- GFNPHCOGNULPLS-UHFFFAOYSA-N
- Formula
- C9H8F2O2
- SMILES
- COC(=O)c1c(F)ccc(C)c1F
- Molecular Weight1
- 186.16
- 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° | -515.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.41 | kJ/mol | Joback Calculated Property |
| log10WS | -2.85 | Crippen Calculated Property | |
| logPoct/wat | 2.060 | Crippen Calculated Property | |
| McVol | 124.890 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Inp | 1212.00 | NIST | |
| Tboil | 521.77 | K | Joback Calculated Property |
| Tc | 720.11 | K | Joback Calculated Property |
| Tfus | 328.51 | K | Joback Calculated Property |
| Vc | 0.491 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.27; 327.76] | J/mol×K | [521.77; 720.11] | 
|
| Cp,gas | 272.27 | J/mol×K | 521.77 | Joback Calculated Property |
| Cp,gas | 282.66 | J/mol×K | 554.83 | Joback Calculated Property |
| Cp,gas | 292.60 | J/mol×K | 587.88 | Joback Calculated Property |
| Cp,gas | 302.08 | J/mol×K | 620.94 | Joback Calculated Property |
| Cp,gas | 311.10 | J/mol×K | 653.99 | Joback Calculated Property |
| Cp,gas | 319.66 | J/mol×K | 687.05 | Joback Calculated Property |
| Cp,gas | 327.76 | J/mol×K | 720.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, methyl ester.
Sources
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