- InChI
- InChI=1S/C19H28F2O2/c1-3-5-7-8-9-11-16(10-6-4-2)23-19(22)17-13-12-15(20)14-18(17)21/h12-14,16H,3-11H2,1-2H3
- InChI Key
- FGOILMSHMGCUKW-UHFFFAOYSA-N
- Formula
- C19H28F2O2
- SMILES
-
CCCCCCCC(CCCC)OC(=O)c1ccc(F)cc
1F - Molecular Weight1
- 326.42
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8665 | Relay (... Calculated Property | |
| ΔfG° | -423.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -886.06 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 43.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.62 | kJ/mol | Relay (... Calculated Property |
| IE | 9.20 | eV | Relay (... Calculated Property |
| log10WS | -6.67 | Relay (... Calculated Property | |
| logPoct/wat | 6.041 | Crippen Calculated Property | |
| McVol | 265.790 | ml/mol | McGowan Calculated Property |
| Pc | 1296.73 | kPa | Joback Calculated Property |
| Inp | [2008.00; 2008.00] |
|
|
| Inp | 2008.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Tboil | 597.79 | K | Relay (... Calculated Property |
| Tc | 786.74 | K | Relay (... Calculated Property |
| Tfus | 259.47 | K | Relay (... Calculated Property |
| Vc | 0.995 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [783.42; 871.51] | J/mol×K | [745.15; 929.57] |
|
| Cp,gas | 783.42 | J/mol×K | 745.15 | Joback Calculated Property |
| Cp,gas | 800.35 | J/mol×K | 775.89 | Joback Calculated Property |
| Cp,gas | 816.35 | J/mol×K | 806.62 | Joback Calculated Property |
| Cp,gas | 831.44 | J/mol×K | 837.36 | Joback Calculated Property |
| Cp,gas | 845.65 | J/mol×K | 868.10 | Joback Calculated Property |
| Cp,gas | 859.00 | J/mol×K | 898.84 | Joback Calculated Property |
| Cp,gas | 871.51 | J/mol×K | 929.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, 5-dodecyl ester.
Sources
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