- InChI
- InChI=1S/C16H22F2O2/c1-4-6-7-12(5-2)10-20-16(19)14-13(17)9-8-11(3)15(14)18/h8-9,12H,4-7,10H2,1-3H3
- InChI Key
- XIBTWSBPKABFMD-UHFFFAOYSA-N
- Formula
- C16H22F2O2
- SMILES
-
CCCCC(CC)COC(=O)c1c(F)ccc(C)c1
F - Molecular Weight1
- 284.34
- 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° | -458.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -813.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.61 | kJ/mol | Joback Calculated Property |
| log10WS | -5.54 | Crippen Calculated Property | |
| logPoct/wat | 4.646 | Crippen Calculated Property | |
| McVol | 223.520 | ml/mol | McGowan Calculated Property |
| Pc | 1594.89 | kPa | Joback Calculated Property |
| Inp | 1824.00 | NIST | |
| Tboil | 681.49 | K | Joback Calculated Property |
| Tc | 868.28 | K | Joback Calculated Property |
| Tfus | 392.40 | K | Joback Calculated Property |
| Vc | 0.877 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [615.30; 697.56] | J/mol×K | [681.49; 868.28] | 
|
| Cp,gas | 615.30 | J/mol×K | 681.49 | Joback Calculated Property |
| Cp,gas | 630.99 | J/mol×K | 712.62 | Joback Calculated Property |
| Cp,gas | 645.87 | J/mol×K | 743.75 | Joback Calculated Property |
| Cp,gas | 659.96 | J/mol×K | 774.89 | Joback Calculated Property |
| Cp,gas | 673.26 | J/mol×K | 806.02 | Joback Calculated Property |
| Cp,gas | 685.79 | J/mol×K | 837.15 | Joback Calculated Property |
| Cp,gas | 697.56 | J/mol×K | 868.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 2-ethylhexyl ester.
Sources
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