- InChI
- InChI=1S/C31H50F2O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-36-30(34)21-18-15-12-13-16-19-22-31(35)37-29-25-27(32)24-28(33)26-29/h24-26H,2-23H2,1H3
- InChI Key
- CZGGPLFPONZPLN-UHFFFAOYSA-N
- Formula
- C31H50F2O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCCCCCCC
(=O)Oc1cc(F)cc(F)c1 - Molecular Weight1
- 524.72
- 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° | -554.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1351.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 81.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.88 | kJ/mol | Joback Calculated Property |
| log10WS | -10.94 | Crippen Calculated Property | |
| logPoct/wat | 9.625 | Crippen Calculated Property | |
| McVol | 442.310 | ml/mol | McGowan Calculated Property |
| Pc | 660.51 | kPa | Joback Calculated Property |
| Inp | 3588.00 | NIST | |
| Tboil | 1096.44 | K | Joback Calculated Property |
| Tc | 1378.67 | K | Joback Calculated Property |
| Tfus | 636.09 | K | Joback Calculated Property |
| Vc | 1.748 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1572.68; 1655.51] | J/mol×K | [1096.44; 1378.67] | 
|
| Cp,gas | 1572.68 | J/mol×K | 1096.44 | Joback Calculated Property |
| Cp,gas | 1592.55 | J/mol×K | 1143.48 | Joback Calculated Property |
| Cp,gas | 1609.81 | J/mol×K | 1190.52 | Joback Calculated Property |
| Cp,gas | 1624.61 | J/mol×K | 1237.56 | Joback Calculated Property |
| Cp,gas | 1637.06 | J/mol×K | 1284.60 | Joback Calculated Property |
| Cp,gas | 1647.32 | J/mol×K | 1331.64 | Joback Calculated Property |
| Cp,gas | 1655.51 | J/mol×K | 1378.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3,5-difluorophenyl pentadecyl ester.
Sources
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