- InChI
- InChI=1S/C33H56F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-44-28(42)24-21-18-15-16-19-22-25-29(43)45-27-31(36,37)33(40,41)32(38,39)30(34)35/h30H,2-27H2,1H3
- InChI Key
- VKLCKQUBDVRKLR-UHFFFAOYSA-N
- Formula
- C33H56F8O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC
CCC(=O)OCC(F)(F)C(F)(F)C(F)(F) C(F)F - Molecular Weight1
- 668.78
- 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° | -1793.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2814.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 85.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.55 | kJ/mol | Joback Calculated Property |
| log10WS | -12.62 | Crippen Calculated Property | |
| logPoct/wat | 11.626 | Crippen Calculated Property | |
| McVol | 504.870 | ml/mol | McGowan Calculated Property |
| Pc | 474.86 | kPa | Joback Calculated Property |
| Inp | 3392.00 | NIST | |
| Tboil | 1091.05 | K | Joback Calculated Property |
| Tc | 1454.16 | K | Joback Calculated Property |
| Tfus | 602.97 | K | Joback Calculated Property |
| Vc | 2.037 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1852.98; 2014.66] | J/mol×K | [1091.05; 1454.16] | 
|
| Cp,gas | 1852.98 | J/mol×K | 1091.05 | Joback Calculated Property |
| Cp,gas | 1884.73 | J/mol×K | 1151.57 | Joback Calculated Property |
| Cp,gas | 1913.65 | J/mol×K | 1212.09 | Joback Calculated Property |
| Cp,gas | 1940.42 | J/mol×K | 1272.61 | Joback Calculated Property |
| Cp,gas | 1965.72 | J/mol×K | 1333.13 | Joback Calculated Property |
| Cp,gas | 1990.24 | J/mol×K | 1393.64 | Joback Calculated Property |
| Cp,gas | 2014.66 | J/mol×K | 1454.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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