- InChI
- InChI=1S/C20H30F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-24-20(23)18-16-17(21)13-14-19(18)22/h13-14,16H,2-12,15H2,1H3
- InChI Key
- VPMKDEJYNZEUBJ-UHFFFAOYSA-N
- Formula
- C20H30F2O2
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1cc(F)ccc1
F - Molecular Weight1
- 340.45
- 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° | -412.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -879.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.24 | kJ/mol | Joback Calculated Property |
| log10WS | -7.40 | Crippen Calculated Property | |
| logPoct/wat | 6.433 | Crippen Calculated Property | |
| McVol | 279.880 | ml/mol | McGowan Calculated Property |
| Pc | 1204.80 | kPa | Joback Calculated Property |
| Inp | [2290.00; 2290.00] |
|
|
| Inp | 2290.00 | NIST | |
| Inp | 2290.00 | NIST | |
| Tboil | 768.47 | K | Joback Calculated Property |
| Tc | 951.81 | K | Joback Calculated Property |
| Tfus | 439.96 | K | Joback Calculated Property |
| Vc | 1.107 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [840.97; 929.92] | J/mol×K | [768.47; 951.81] |
|
| Cp,gas | 840.97 | J/mol×K | 768.47 | Joback Calculated Property |
| Cp,gas | 858.07 | J/mol×K | 799.03 | Joback Calculated Property |
| Cp,gas | 874.22 | J/mol×K | 829.58 | Joback Calculated Property |
| Cp,gas | 889.46 | J/mol×K | 860.14 | Joback Calculated Property |
| Cp,gas | 903.80 | J/mol×K | 890.70 | Joback Calculated Property |
| Cp,gas | 917.28 | J/mol×K | 921.25 | Joback Calculated Property |
| Cp,gas | 929.92 | J/mol×K | 951.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Difluorobenzoic acid, tridecyl ester.
Sources
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