- InChI
- InChI=1S/C15H20F2O2/c1-2-3-4-5-6-7-10-19-15(18)13-9-8-12(16)11-14(13)17/h8-9,11H,2-7,10H2,1H3
- InChI Key
- NZACAHJMBMPJNC-UHFFFAOYSA-N
- Formula
- C15H20F2O2
- SMILES
- CCCCCCCCOC(=O)c1ccc(F)cc1F
- Molecular Weight1
- 270.31
- 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° | -454.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -776.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.11 | kJ/mol | Joback Calculated Property |
| log10WS | -5.31 | Crippen Calculated Property | |
| logPoct/wat | 4.482 | Crippen Calculated Property | |
| McVol | 209.430 | ml/mol | McGowan Calculated Property |
| Pc | 1734.67 | kPa | Joback Calculated Property |
| Inp | [1864.00; 1864.00] |
|
|
| Inp | 1864.00 | NIST | |
| Inp | 1864.00 | NIST | |
| Tboil | 654.07 | K | Joback Calculated Property |
| Tc | 838.45 | K | Joback Calculated Property |
| Tfus | 383.61 | K | Joback Calculated Property |
| Vc | 0.828 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [561.72; 641.16] | J/mol×K | [654.07; 838.45] |
|
| Cp,gas | 561.72 | J/mol×K | 654.07 | Joback Calculated Property |
| Cp,gas | 576.83 | J/mol×K | 684.80 | Joback Calculated Property |
| Cp,gas | 591.17 | J/mol×K | 715.53 | Joback Calculated Property |
| Cp,gas | 604.76 | J/mol×K | 746.26 | Joback Calculated Property |
| Cp,gas | 617.61 | J/mol×K | 776.99 | Joback Calculated Property |
| Cp,gas | 629.74 | J/mol×K | 807.72 | Joback Calculated Property |
| Cp,gas | 641.16 | J/mol×K | 838.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, octyl ester.
Sources
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