- InChI
- InChI=1S/C26H28F6O4/c27-25(28,29)23(19-13-7-5-8-14-19)35-21(33)17-11-3-1-2-4-12-18-22(34)36-24(26(30,31)32)20-15-9-6-10-16-20/h5-10,13-16,23-24H,1-4,11-12,17-18H2
- InChI Key
- PIMLFEBSXKKYCL-UHFFFAOYSA-N
- Formula
- C26H28F6O4
- SMILES
-
O=C(CCCCCCCCC(=O)OC(c1ccccc1)C
(F)(F)F)OC(c1ccccc1)C(F)(F)F - Molecular Weight1
- 518.49
- 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).
- 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° | -1243.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1801.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.06 | kJ/mol | Joback Calculated Property |
| log10WS | -8.88 | Crippen Calculated Property | |
| logPoct/wat | 7.801 | Crippen Calculated Property | |
| McVol | 355.180 | ml/mol | McGowan Calculated Property |
| Pc | 991.38 | kPa | Joback Calculated Property |
| Tboil | 988.50 | K | Joback Calculated Property |
| Tc | 1210.21 | K | Joback Calculated Property |
| Tfus | 558.32 | K | Joback Calculated Property |
| Vc | 1.397 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1180.72; 1248.37] | J/mol×K | [988.50; 1210.21] | 
|
| Cp,gas | 1180.72 | J/mol×K | 988.50 | Joback Calculated Property |
| Cp,gas | 1194.44 | J/mol×K | 1025.45 | Joback Calculated Property |
| Cp,gas | 1207.03 | J/mol×K | 1062.40 | Joback Calculated Property |
| Cp,gas | 1218.60 | J/mol×K | 1099.35 | Joback Calculated Property |
| Cp,gas | 1229.26 | J/mol×K | 1136.30 | Joback Calculated Property |
| Cp,gas | 1239.15 | J/mol×K | 1173.25 | Joback Calculated Property |
| Cp,gas | 1248.37 | J/mol×K | 1210.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(1-phenyl-2,2,2-trifluoromethylethyl) ester.
Sources
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