- InChI
- InChI=1S/C22H34F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-22(25)19-15-16-20(23)21(24)18-19/h15-16,18H,2-14,17H2,1H3
- InChI Key
- DOZMTPZUTLUQQI-UHFFFAOYSA-N
- Formula
- C22H34F2O2
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1ccc(F)c
(F)c1 - 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 | 1.0414 | Relay (... Calculated Property | |
| ΔfG° | -396.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -937.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 54.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.23 | kJ/mol | Relay (... Calculated Property |
| IE | 9.49 | eV | Relay (... Calculated Property |
| log10WS | -7.87 | Relay (... Calculated Property | |
| logPoct/wat | 7.213 | Crippen Calculated Property | |
| McVol | 308.060 | ml/mol | McGowan Calculated Property |
| Pc | 1058.95 | kPa | Joback Calculated Property |
| Inp | [2474.00; 2474.00] |
|
|
| Inp | 2474.00 | NIST | |
| Inp | 2474.00 | NIST | |
| Tboil | 628.73 | K | Relay (... Calculated Property |
| Tc | 819.48 | K | Relay (... Calculated Property |
| Tfus | 306.04 | K | Relay (... Calculated Property |
| Vc | 1.178 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [959.82; 1051.85] | J/mol×K | [814.23; 1001.16] |
|
| Cp,gas | 959.82 | J/mol×K | 814.23 | Joback Calculated Property |
| Cp,gas | 977.64 | J/mol×K | 845.38 | Joback Calculated Property |
| Cp,gas | 994.43 | J/mol×K | 876.54 | Joback Calculated Property |
| Cp,gas | 1010.21 | J/mol×K | 907.69 | Joback Calculated Property |
| Cp,gas | 1025.02 | J/mol×K | 938.85 | Joback Calculated Property |
| Cp,gas | 1038.89 | J/mol×K | 970.00 | Joback Calculated Property |
| Cp,gas | 1051.85 | J/mol×K | 1001.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, pentadecyl ester.
Sources
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