- InChI
- InChI=1S/C23H36F2O2/c1-3-5-6-7-8-9-10-11-12-13-15-20(14-4-2)27-23(26)19-16-17-21(24)22(25)18-19/h16-18,20H,3-15H2,1-2H3
- InChI Key
- WBMSTNKQTAWCEJ-UHFFFAOYSA-N
- Formula
- C23H36F2O2
- SMILES
-
CCCCCCCCCCCCC(CCC)OC(=O)c1ccc(
F)c(F)c1 - Molecular Weight1
- 382.53
- 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 | 1.0179 | Relay (... Calculated Property | |
| ΔfG° | -390.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -956.65 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 54.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.16 | kJ/mol | Relay (... Calculated Property |
| IE | 9.40 | eV | Relay (... Calculated Property |
| log10WS | -7.79 | Relay (... Calculated Property | |
| logPoct/wat | 7.601 | Crippen Calculated Property | |
| McVol | 322.150 | ml/mol | McGowan Calculated Property |
| Pc | 1000.81 | kPa | Joback Calculated Property |
| Inp | [2405.00; 2405.00] |
|
|
| Inp | 2405.00 | NIST | |
| Inp | 2405.00 | NIST | |
| Tboil | 631.25 | K | Relay (... Calculated Property |
| Tc | 818.53 | K | Relay (... Calculated Property |
| Tfus | 279.44 | K | Relay (... Calculated Property |
| Vc | 1.210 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1020.97; 1114.66] | J/mol×K | [836.67; 1027.18] |
|
| Cp,gas | 1020.97 | J/mol×K | 836.67 | Joback Calculated Property |
| Cp,gas | 1039.23 | J/mol×K | 868.42 | Joback Calculated Property |
| Cp,gas | 1056.38 | J/mol×K | 900.17 | Joback Calculated Property |
| Cp,gas | 1072.47 | J/mol×K | 931.93 | Joback Calculated Property |
| Cp,gas | 1087.52 | J/mol×K | 963.68 | Joback Calculated Property |
| Cp,gas | 1101.57 | J/mol×K | 995.43 | Joback Calculated Property |
| Cp,gas | 1114.66 | J/mol×K | 1027.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, 4-hexadecyl ester.
Sources
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