- InChI
- InChI=1S/C19H28F2O2/c1-2-3-4-5-6-7-8-9-10-11-14-23-19(22)17-15-16(20)12-13-18(17)21/h12-13,15H,2-11,14H2,1H3
- InChI Key
- DPXWMDFMPFEBOC-UHFFFAOYSA-N
- Formula
- C19H28F2O2
- SMILES
- CCCCCCCCCCCCOC(=O)c1cc(F)ccc1F
- Molecular Weight1
- 326.42
- 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° | -421.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -858.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.01 | kJ/mol | Joback Calculated Property |
| log10WS | -6.98 | Crippen Calculated Property | |
| logPoct/wat | 6.043 | Crippen Calculated Property | |
| McVol | 265.790 | ml/mol | McGowan Calculated Property |
| Pc | 1289.29 | kPa | Joback Calculated Property |
| Inp | [2185.00; 2185.00] |
|
|
| Inp | 2185.00 | NIST | |
| Inp | 2185.00 | NIST | |
| Tboil | 745.59 | K | Joback Calculated Property |
| Tc | 928.10 | K | Joback Calculated Property |
| Tfus | 428.69 | K | Joback Calculated Property |
| Vc | 1.052 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [782.92; 870.27] | J/mol×K | [745.59; 928.10] |
|
| Cp,gas | 782.92 | J/mol×K | 745.59 | Joback Calculated Property |
| Cp,gas | 799.66 | J/mol×K | 776.01 | Joback Calculated Property |
| Cp,gas | 815.50 | J/mol×K | 806.43 | Joback Calculated Property |
| Cp,gas | 830.46 | J/mol×K | 836.85 | Joback Calculated Property |
| Cp,gas | 844.56 | J/mol×K | 867.26 | Joback Calculated Property |
| Cp,gas | 857.82 | J/mol×K | 897.68 | Joback Calculated Property |
| Cp,gas | 870.27 | J/mol×K | 928.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Difluorobenzoic acid, dodecyl ester.
Sources
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