- InChI
- InChI=1S/C24H36F2O4/c1-2-3-4-5-10-13-16-29-23(27)14-11-8-6-7-9-12-15-24(28)30-22-18-20(25)17-21(26)19-22/h17-19H,2-16H2,1H3
- InChI Key
- LIBHTAMKVAMZQG-UHFFFAOYSA-N
- Formula
- C24H36F2O4
- SMILES
-
CCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1
cc(F)cc(F)c1 - Molecular Weight1
- 426.54
- 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° | -613.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1206.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.30 | kJ/mol | Joback Calculated Property |
| log10WS | -8.01 | Crippen Calculated Property | |
| logPoct/wat | 6.895 | Crippen Calculated Property | |
| McVol | 343.680 | ml/mol | McGowan Calculated Property |
| Pc | 965.07 | kPa | Joback Calculated Property |
| Inp | [2845.00; 2845.00] |
|
|
| Inp | 2845.00 | NIST | |
| Inp | 2845.00 | NIST | |
| Tboil | 936.28 | K | Joback Calculated Property |
| Tc | 1146.56 | K | Joback Calculated Property |
| Tfus | 557.20 | K | Joback Calculated Property |
| Vc | 1.355 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1132.84; 1212.71] | J/mol×K | [936.28; 1146.56] |
|
| Cp,gas | 1132.84 | J/mol×K | 936.28 | Joback Calculated Property |
| Cp,gas | 1149.49 | J/mol×K | 971.33 | Joback Calculated Property |
| Cp,gas | 1164.76 | J/mol×K | 1006.37 | Joback Calculated Property |
| Cp,gas | 1178.68 | J/mol×K | 1041.42 | Joback Calculated Property |
| Cp,gas | 1191.29 | J/mol×K | 1076.47 | Joback Calculated Property |
| Cp,gas | 1202.62 | J/mol×K | 1111.51 | Joback Calculated Property |
| Cp,gas | 1212.71 | J/mol×K | 1146.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3,5-difluorophenyl octyl ester.
Sources
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