- InChI
- InChI=1S/C24H46O4/c1-6-21(7-2)17-18-22(8-3)28-24(26)16-14-12-10-9-11-13-15-23(25)27-19-20(4)5/h20-22H,6-19H2,1-5H3
- InChI Key
- CAAVLDDSPKWRNQ-UHFFFAOYSA-N
- Formula
- C24H46O4
- SMILES
-
CCC(CC)CCC(CC)OC(=O)CCCCCCCCC(
=O)OCC(C)C - Molecular Weight1
- 398.62
- 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° | -323.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1044.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.17 | kJ/mol | Joback Calculated Property |
| log10WS | -7.22 | Crippen Calculated Property | |
| logPoct/wat | 6.845 | Crippen Calculated Property | |
| McVol | 363.900 | ml/mol | McGowan Calculated Property |
| Pc | 862.01 | kPa | Joback Calculated Property |
| Inp | [2613.00; 2613.00] |
|
|
| Inp | 2613.00 | NIST | |
| Inp | 2613.00 | NIST | |
| Tboil | 899.78 | K | Joback Calculated Property |
| Tc | 1101.76 | K | Joback Calculated Property |
| Tfus | 459.56 | K | Joback Calculated Property |
| Vc | 1.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1218.83; 1318.09] | J/mol×K | [899.78; 1101.76] |
|
| Cp,gas | 1218.83 | J/mol×K | 899.78 | Joback Calculated Property |
| Cp,gas | 1238.81 | J/mol×K | 933.44 | Joback Calculated Property |
| Cp,gas | 1257.37 | J/mol×K | 967.11 | Joback Calculated Property |
| Cp,gas | 1274.54 | J/mol×K | 1000.77 | Joback Calculated Property |
| Cp,gas | 1290.36 | J/mol×K | 1034.43 | Joback Calculated Property |
| Cp,gas | 1304.87 | J/mol×K | 1068.10 | Joback Calculated Property |
| Cp,gas | 1318.09 | J/mol×K | 1101.76 | Joback Calculated Property |
| η | [0.0000224; 0.0008558] | Pa×s | [459.56; 899.78] |
|
| η | 0.0008558 | Pa×s | 459.56 | Joback Calculated Property |
| η | 0.0003072 | Pa×s | 532.93 | Joback Calculated Property |
| η | 0.0001413 | Pa×s | 606.30 | Joback Calculated Property |
| η | 0.0000768 | Pa×s | 679.67 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 753.04 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 826.41 | Joback Calculated Property |
| η | 0.0000224 | Pa×s | 899.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 6-ethyloct-3-yl isobutyl ester.
Sources
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