- InChI
- InChI=1S/C15H12F2O2/c1-9-4-3-5-11(8-9)19-15(18)13-12(16)7-6-10(2)14(13)17/h3-8H,1-2H3
- InChI Key
- PAVUVLVSVMABBT-UHFFFAOYSA-N
- Formula
- C15H12F2O2
- SMILES
-
Cc1cccc(OC(=O)c2c(F)ccc(C)c2F)
c1 - Molecular Weight1
- 262.25
- 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° | -361.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -562.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.71 | kJ/mol | Joback Calculated Property |
| log10WS | -5.17 | Crippen Calculated Property | |
| logPoct/wat | 3.801 | Crippen Calculated Property | |
| McVol | 185.670 | ml/mol | McGowan Calculated Property |
| Pc | 2267.57 | kPa | Joback Calculated Property |
| Inp | 1893.00 | NIST | |
| Tboil | 690.71 | K | Joback Calculated Property |
| Tc | 911.11 | K | Joback Calculated Property |
| Tfus | 435.07 | K | Joback Calculated Property |
| Vc | 0.720 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [478.74; 546.89] | J/mol×K | [690.71; 911.11] | 
|
| Cp,gas | 478.74 | J/mol×K | 690.71 | Joback Calculated Property |
| Cp,gas | 492.36 | J/mol×K | 727.44 | Joback Calculated Property |
| Cp,gas | 505.05 | J/mol×K | 764.18 | Joback Calculated Property |
| Cp,gas | 516.83 | J/mol×K | 800.91 | Joback Calculated Property |
| Cp,gas | 527.72 | J/mol×K | 837.64 | Joback Calculated Property |
| Cp,gas | 537.73 | J/mol×K | 874.38 | Joback Calculated Property |
| Cp,gas | 546.89 | J/mol×K | 911.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 3-methylphenyl ester.
Sources
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