- InChI
- InChI=1S/C27H44F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31-27(30)24-20-21-25(28)26(29)23-24/h20-21,23H,2-19,22H2,1H3
- InChI Key
- HURGPMGFUNYSJH-UHFFFAOYSA-N
- Formula
- C27H44F2O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCOC(=O)c1cc
c(F)c(F)c1 - Molecular Weight1
- 438.63
- 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 | 1.2184 | Relay (... Calculated Property | |
| ΔfG° | -353.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1041.03 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 67.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.18 | kJ/mol | Relay (... Calculated Property |
| IE | 9.69 | eV | Relay (... Calculated Property |
| log10WS | -9.24 | Relay (... Calculated Property | |
| logPoct/wat | 9.163 | Crippen Calculated Property | |
| McVol | 378.510 | ml/mol | McGowan Calculated Property |
| Pc | 792.15 | kPa | Joback Calculated Property |
| Inp | [2983.00; 2983.00] |
|
|
| Inp | 2983.00 | NIST | |
| Inp | 2983.00 | NIST | |
| Tboil | 663.69 | K | Relay (... Calculated Property |
| Tc | 856.62 | K | Relay (... Calculated Property |
| Tfus | 319.27 | K | Relay (... Calculated Property |
| Vc | 1.451 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1269.91; 1370.50] | J/mol×K | [928.63; 1138.63] |
|
| Cp,gas | 1269.91 | J/mol×K | 928.63 | Joback Calculated Property |
| Cp,gas | 1289.97 | J/mol×K | 963.63 | Joback Calculated Property |
| Cp,gas | 1308.64 | J/mol×K | 998.63 | Joback Calculated Property |
| Cp,gas | 1325.96 | J/mol×K | 1033.63 | Joback Calculated Property |
| Cp,gas | 1342.01 | J/mol×K | 1068.63 | Joback Calculated Property |
| Cp,gas | 1356.83 | J/mol×K | 1103.63 | Joback Calculated Property |
| Cp,gas | 1370.50 | J/mol×K | 1138.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, eicosyl ester.
Sources
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