- InChI
- InChI=1S/C22H34F2O2/c1-3-5-6-7-8-9-10-11-12-14-19(13-4-2)26-22(25)20-16-15-18(23)17-21(20)24/h15-17,19H,3-14H2,1-2H3
- InChI Key
- QLUNNPIWVXFGLI-UHFFFAOYSA-N
- Formula
- C22H34F2O2
- SMILES
-
CCCCCCCCCCCC(CCC)OC(=O)c1ccc(F
)cc1F - Molecular Weight1
- 368.50
- 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 | 0.9777 | Relay (... Calculated Property | |
| ΔfG° | -398.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -946.92 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 51.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.29 | kJ/mol | Relay (... Calculated Property |
| IE | 9.28 | eV | Relay (... Calculated Property |
| log10WS | -7.55 | Relay (... Calculated Property | |
| logPoct/wat | 7.211 | Crippen Calculated Property | |
| McVol | 308.060 | ml/mol | McGowan Calculated Property |
| Pc | 1064.48 | kPa | Joback Calculated Property |
| Inp | [2332.00; 2332.00] |
|
|
| Inp | 2332.00 | NIST | |
| Inp | 2332.00 | NIST | |
| Tboil | 625.00 | K | Relay (... Calculated Property |
| Tc | 813.97 | K | Relay (... Calculated Property |
| Tfus | 277.42 | K | Relay (... Calculated Property |
| Vc | 1.159 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [960.31; 1052.62] | J/mol×K | [813.79; 1001.75] |
|
| Cp,gas | 960.31 | J/mol×K | 813.79 | Joback Calculated Property |
| Cp,gas | 978.23 | J/mol×K | 845.12 | Joback Calculated Property |
| Cp,gas | 995.09 | J/mol×K | 876.44 | Joback Calculated Property |
| Cp,gas | 1010.93 | J/mol×K | 907.77 | Joback Calculated Property |
| Cp,gas | 1025.77 | J/mol×K | 939.09 | Joback Calculated Property |
| Cp,gas | 1039.66 | J/mol×K | 970.42 | Joback Calculated Property |
| Cp,gas | 1052.62 | J/mol×K | 1001.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, 4-pentadecyl ester.
Sources
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