- InChI
- InChI=1S/C20H36O5/c1-16(2)12-11-15-24-19(22)13-9-7-5-6-8-10-14-20(23)25-18(4)17(3)21/h16,18H,5-15H2,1-4H3
- InChI Key
- XKAKZJHVXKLSDX-UHFFFAOYSA-N
- Formula
- C20H36O5
- SMILES
-
CC(=O)C(C)OC(=O)CCCCCCCCC(=O)O
CCCC(C)C - Molecular Weight1
- 356.50
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -484.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1068.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.40 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 4.607 | Crippen Calculated Property | |
| McVol | 309.110 | ml/mol | McGowan Calculated Property |
| Pc | 1135.96 | kPa | Joback Calculated Property |
| Inp | [2433.00; 2433.00] |
|
|
| Inp | 2433.00 | NIST | |
| Inp | 2433.00 | NIST | |
| Tboil | 862.57 | K | Joback Calculated Property |
| Tc | 1057.88 | K | Joback Calculated Property |
| Tfus | 479.41 | K | Joback Calculated Property |
| Vc | 1.198 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [992.87; 1076.97] | J/mol×K | [862.57; 1057.88] |
|
| Cp,gas | 992.87 | J/mol×K | 862.57 | Joback Calculated Property |
| Cp,gas | 1009.76 | J/mol×K | 895.12 | Joback Calculated Property |
| Cp,gas | 1025.47 | J/mol×K | 927.67 | Joback Calculated Property |
| Cp,gas | 1040.03 | J/mol×K | 960.22 | Joback Calculated Property |
| Cp,gas | 1053.45 | J/mol×K | 992.78 | Joback Calculated Property |
| Cp,gas | 1065.76 | J/mol×K | 1025.33 | Joback Calculated Property |
| Cp,gas | 1076.97 | J/mol×K | 1057.88 | Joback Calculated Property |
| η | [0.0000424; 0.0008629] | Pa×s | [479.41; 862.57] |
|
| η | 0.0008629 | Pa×s | 479.41 | Joback Calculated Property |
| η | 0.0003887 | Pa×s | 543.27 | Joback Calculated Property |
| η | 0.0002071 | Pa×s | 607.13 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 670.99 | Joback Calculated Property |
| η | 0.0000816 | Pa×s | 734.85 | Joback Calculated Property |
| η | 0.0000573 | Pa×s | 798.71 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 862.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isohexyl 3-oxobut-2-yl ester.
Sources
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