- InChI
- InChI=1S/C14H16F2O2/c1-9-7-8-11(15)12(13(9)16)14(17)18-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
- InChI Key
- ROGZGCASDPRFKV-UHFFFAOYSA-N
- Formula
- C14H16F2O2
- SMILES
- Cc1ccc(F)c(C(=O)OC2CCCCC2)c1F
- Molecular Weight1
- 254.27
- 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° | -448.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -712.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.95 | Crippen Calculated Property | |
| logPoct/wat | 3.763 | Crippen Calculated Property | |
| McVol | 184.480 | ml/mol | McGowan Calculated Property |
| Pc | 2235.52 | kPa | Joback Calculated Property |
| Inp | 1759.00 | NIST | |
| Tboil | 655.72 | K | Joback Calculated Property |
| Tc | 872.58 | K | Joback Calculated Property |
| Tfus | 392.24 | K | Joback Calculated Property |
| Vc | 0.705 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.63; 587.09] | J/mol×K | [655.72; 872.58] | 
|
| Cp,gas | 500.63 | J/mol×K | 655.72 | Joback Calculated Property |
| Cp,gas | 517.73 | J/mol×K | 691.86 | Joback Calculated Property |
| Cp,gas | 533.73 | J/mol×K | 728.01 | Joback Calculated Property |
| Cp,gas | 548.65 | J/mol×K | 764.15 | Joback Calculated Property |
| Cp,gas | 562.50 | J/mol×K | 800.29 | Joback Calculated Property |
| Cp,gas | 575.31 | J/mol×K | 836.43 | Joback Calculated Property |
| Cp,gas | 587.09 | J/mol×K | 872.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, cyclohexyl ester.
Sources
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