- InChI
- InChI=1S/C34H55F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-29-40-31(38)27-22-16-13-14-17-23-28-32(39)41-33(34(35,36)37)30-25-20-19-21-26-30/h19-21,25-26,33H,2-18,22-24,27-29H2,1H3
- InChI Key
- YIBJRSRZGIFPAQ-UHFFFAOYSA-N
- Formula
- C34H55F3O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC
C(=O)OC(c1ccccc1)C(F)(F)F - Molecular Weight1
- 584.79
- 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° | -704.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1600.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 81.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.73 | kJ/mol | Joback Calculated Property |
| log10WS | -12.00 | Crippen Calculated Property | |
| logPoct/wat | 10.979 | Crippen Calculated Property | |
| McVol | 486.350 | ml/mol | McGowan Calculated Property |
| Pc | 575.91 | kPa | Joback Calculated Property |
| Inp | 3325.00 | NIST | |
| Tboil | 1150.72 | K | Joback Calculated Property |
| Tc | 1472.24 | K | Joback Calculated Property |
| Tfus | 632.87 | K | Joback Calculated Property |
| Vc | 1.917 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1774.52; 1880.21] | J/mol×K | [1150.72; 1472.24] | 
|
| Cp,gas | 1774.52 | J/mol×K | 1150.72 | Joback Calculated Property |
| Cp,gas | 1797.44 | J/mol×K | 1204.31 | Joback Calculated Property |
| Cp,gas | 1817.78 | J/mol×K | 1257.89 | Joback Calculated Property |
| Cp,gas | 1835.87 | J/mol×K | 1311.48 | Joback Calculated Property |
| Cp,gas | 1852.07 | J/mol×K | 1365.07 | Joback Calculated Property |
| Cp,gas | 1866.73 | J/mol×K | 1418.65 | Joback Calculated Property |
| Cp,gas | 1880.21 | J/mol×K | 1472.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, hexadecyl 1-phenyl-2,2,2-trifluoromethylethyl ester.
Sources
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