- InChI
- InChI=1S/C18H26F2O2/c1-2-3-4-5-6-7-8-9-10-13-22-18(21)16-12-11-15(19)14-17(16)20/h11-12,14H,2-10,13H2,1H3
- InChI Key
- HEMPVXWEZQMSET-UHFFFAOYSA-N
- Formula
- C18H26F2O2
- SMILES
- CCCCCCCCCCCOC(=O)c1ccc(F)cc1F
- Molecular Weight1
- 312.39
- 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° | -429.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -838.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.78 | kJ/mol | Joback Calculated Property |
| log10WS | -6.56 | Crippen Calculated Property | |
| logPoct/wat | 5.652 | Crippen Calculated Property | |
| McVol | 251.700 | ml/mol | McGowan Calculated Property |
| Pc | 1382.99 | kPa | Joback Calculated Property |
| Inp | [2171.00; 2171.00] |
|
|
| Inp | 2171.00 | NIST | |
| Inp | 2171.00 | NIST | |
| Tboil | 722.71 | K | Joback Calculated Property |
| Tc | 904.96 | K | Joback Calculated Property |
| Tfus | 417.42 | K | Joback Calculated Property |
| Vc | 0.996 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [725.89; 811.54] | J/mol×K | [722.71; 904.96] |
|
| Cp,gas | 725.89 | J/mol×K | 722.71 | Joback Calculated Property |
| Cp,gas | 742.27 | J/mol×K | 753.09 | Joback Calculated Property |
| Cp,gas | 757.78 | J/mol×K | 783.46 | Joback Calculated Property |
| Cp,gas | 772.44 | J/mol×K | 813.84 | Joback Calculated Property |
| Cp,gas | 786.27 | J/mol×K | 844.21 | Joback Calculated Property |
| Cp,gas | 799.30 | J/mol×K | 874.59 | Joback Calculated Property |
| Cp,gas | 811.54 | J/mol×K | 904.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, undecyl ester.
Sources
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