- InChI
- InChI=1S/C24H38F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-24(27)22-18-17-21(25)20-23(22)26/h17-18,20H,2-16,19H2,1H3
- InChI Key
- SOEYMVOIKNZTDI-UHFFFAOYSA-N
- Formula
- C24H38F2O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1ccc(F
)cc1F - Molecular Weight1
- 396.55
- 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 | 1.1077 | Relay (1.0) Calculated Property | |
| ΔfG° | -379.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -989.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.993 | Crippen Calculated Property | |
| McVol | 336.240 | ml/mol | McGowan Calculated Property |
| Pc | 938.07 | kPa | Joback Calculated Property |
| Inp | [2699.00; 2699.00] |
|
|
| Inp | 2699.00 | NIST | |
| Inp | 2699.00 | NIST | |
| Tboil | 645.33 | K | Relay (1.0) Calculated Property |
| Tc | 838.13 | K | Relay (1.0) Calculated Property |
| Tfus | 313.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.290 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1081.89; 1177.08] | J/mol×K | [859.99; 1053.47] |
|
| Cp,gas | 1081.89 | J/mol×K | 859.99 | Joback Calculated Property |
| Cp,gas | 1100.50 | J/mol×K | 892.24 | Joback Calculated Property |
| Cp,gas | 1117.96 | J/mol×K | 924.48 | Joback Calculated Property |
| Cp,gas | 1134.31 | J/mol×K | 956.73 | Joback Calculated Property |
| Cp,gas | 1149.58 | J/mol×K | 988.97 | Joback Calculated Property |
| Cp,gas | 1163.83 | J/mol×K | 1021.22 | Joback Calculated Property |
| Cp,gas | 1177.08 | J/mol×K | 1053.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, heptadecyl ester.
Sources
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