- InChI
- InChI=1S/C31H52F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-24-42-26(40)22-19-16-13-14-17-20-23-27(41)43-25-29(34,35)31(38,39)30(36,37)28(32)33/h28H,2-25H2,1H3
- InChI Key
- CYMGUSZRRNNDQG-UHFFFAOYSA-N
- Formula
- C31H52F8O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC
C(=O)OCC(F)(F)C(F)(F)C(F)(F)C( F)F - Molecular Weight1
- 640.73
- 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° | -1810.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2773.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 80.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.10 | kJ/mol | Joback Calculated Property |
| log10WS | -11.78 | Crippen Calculated Property | |
| logPoct/wat | 10.846 | Crippen Calculated Property | |
| McVol | 476.690 | ml/mol | McGowan Calculated Property |
| Pc | 517.23 | kPa | Joback Calculated Property |
| Inp | 3198.00 | NIST | |
| Tboil | 1045.29 | K | Joback Calculated Property |
| Tc | 1360.41 | K | Joback Calculated Property |
| Tfus | 580.43 | K | Joback Calculated Property |
| Vc | 1.925 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1721.59; 1861.61] | J/mol×K | [1045.29; 1360.41] | 
|
| Cp,gas | 1721.59 | J/mol×K | 1045.29 | Joback Calculated Property |
| Cp,gas | 1749.56 | J/mol×K | 1097.81 | Joback Calculated Property |
| Cp,gas | 1775.11 | J/mol×K | 1150.33 | Joback Calculated Property |
| Cp,gas | 1798.67 | J/mol×K | 1202.85 | Joback Calculated Property |
| Cp,gas | 1820.65 | J/mol×K | 1255.37 | Joback Calculated Property |
| Cp,gas | 1841.49 | J/mol×K | 1307.89 | Joback Calculated Property |
| Cp,gas | 1861.61 | J/mol×K | 1360.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, hexadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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