- InChI
- InChI=1S/C25H40F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-25(28)22-18-19-23(26)24(27)21-22/h18-19,21H,2-17,20H2,1H3
- InChI Key
- CZBMODSKJUZROH-UHFFFAOYSA-N
- Formula
- C25H40F2O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(
F)c(F)c1 - Molecular Weight1
- 410.58
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -370.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -982.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.37 | kJ/mol | Joback Calculated Property |
| log10WS | -9.49 | Crippen Calculated Property | |
| logPoct/wat | 8.383 | Crippen Calculated Property | |
| McVol | 350.330 | ml/mol | McGowan Calculated Property |
| Pc | 885.24 | kPa | Joback Calculated Property |
| Inp | [2770.00; 2770.00] |
|
|
| Inp | 2770.00 | NIST | |
| Inp | 2770.00 | NIST | |
| Tboil | 882.87 | K | Joback Calculated Property |
| Tc | 1080.89 | K | Joback Calculated Property |
| Tfus | 496.31 | K | Joback Calculated Property |
| Vc | 1.387 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1143.96; 1240.84] | J/mol×K | [882.87; 1080.89] |
|
| Cp,gas | 1143.96 | J/mol×K | 882.87 | Joback Calculated Property |
| Cp,gas | 1163.02 | J/mol×K | 915.87 | Joback Calculated Property |
| Cp,gas | 1180.85 | J/mol×K | 948.88 | Joback Calculated Property |
| Cp,gas | 1197.50 | J/mol×K | 981.88 | Joback Calculated Property |
| Cp,gas | 1213.02 | J/mol×K | 1014.88 | Joback Calculated Property |
| Cp,gas | 1227.45 | J/mol×K | 1047.89 | Joback Calculated Property |
| Cp,gas | 1240.84 | J/mol×K | 1080.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, octadecyl ester.
Sources
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