- InChI
- InChI=1S/C24H24F6O4/c25-17-9-11-19(27)23(29)15(17)13-33-21(31)7-5-3-1-2-4-6-8-22(32)34-14-16-18(26)10-12-20(28)24(16)30/h9-12H,1-8,13-14H2
- InChI Key
- OLTAGCTTXIXYCZ-UHFFFAOYSA-N
- Formula
- C24H24F6O4
- SMILES
-
O=C(CCCCCCCCC(=O)OCc1c(F)ccc(F
)c1F)OCc1c(F)ccc(F)c1F - Molecular Weight1
- 490.44
- 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° | -1318.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1800.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.95 | kJ/mol | Joback Calculated Property |
| log10WS | -8.78 | Crippen Calculated Property | |
| logPoct/wat | 6.429 | Crippen Calculated Property | |
| McVol | 327.000 | ml/mol | McGowan Calculated Property |
| Pc | 1022.04 | kPa | Joback Calculated Property |
| Inp | 2899.00 | NIST | |
| Tboil | 979.96 | K | Joback Calculated Property |
| Tc | 1201.06 | K | Joback Calculated Property |
| Tfus | 636.06 | K | Joback Calculated Property |
| Vc | 1.319 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1052.63; 1107.32] | J/mol×K | [979.96; 1201.06] | 
|
| Cp,gas | 1052.63 | J/mol×K | 979.96 | Joback Calculated Property |
| Cp,gas | 1065.27 | J/mol×K | 1016.81 | Joback Calculated Property |
| Cp,gas | 1076.46 | J/mol×K | 1053.66 | Joback Calculated Property |
| Cp,gas | 1086.24 | J/mol×K | 1090.51 | Joback Calculated Property |
| Cp,gas | 1094.63 | J/mol×K | 1127.36 | Joback Calculated Property |
| Cp,gas | 1101.65 | J/mol×K | 1164.21 | Joback Calculated Property |
| Cp,gas | 1107.32 | J/mol×K | 1201.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(2,3,6-trifluorobenzyl) ester.
Sources
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