- InChI
- InChI=1S/C24H46O4/c1-5-7-17-22(15-6-2)28-24(26)19-13-11-9-8-10-12-18-23(25)27-20-14-16-21(3)4/h21-22H,5-20H2,1-4H3
- InChI Key
- XOXFWNQGZSJMBX-UHFFFAOYSA-N
- Formula
- C24H46O4
- SMILES
-
CCCCC(CCC)OC(=O)CCCCCCCCC(=O)O
CCCC(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° | -321.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1038.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.55 | kJ/mol | Joback Calculated Property |
| log10WS | -7.46 | Crippen Calculated Property | |
| logPoct/wat | 6.989 | Crippen Calculated Property | |
| McVol | 363.900 | ml/mol | McGowan Calculated Property |
| Pc | 857.97 | kPa | Joback Calculated Property |
| Inp | [2639.00; 2639.00] |
|
|
| Inp | 2639.00 | NIST | |
| Inp | 2639.00 | NIST | |
| Tboil | 900.22 | K | Joback Calculated Property |
| Tc | 1102.59 | K | Joback Calculated Property |
| Tfus | 474.56 | K | Joback Calculated Property |
| Vc | 1.415 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1218.42; 1318.12] | J/mol×K | [900.22; 1102.59] |
|
| Cp,gas | 1218.42 | J/mol×K | 900.22 | Joback Calculated Property |
| Cp,gas | 1238.45 | J/mol×K | 933.95 | Joback Calculated Property |
| Cp,gas | 1257.07 | J/mol×K | 967.68 | Joback Calculated Property |
| Cp,gas | 1274.32 | J/mol×K | 1001.41 | Joback Calculated Property |
| Cp,gas | 1290.22 | J/mol×K | 1035.14 | Joback Calculated Property |
| Cp,gas | 1304.81 | J/mol×K | 1068.86 | Joback Calculated Property |
| Cp,gas | 1318.12 | J/mol×K | 1102.59 | Joback Calculated Property |
| η | [0.0000246; 0.0007142] | Pa×s | [474.56; 900.22] |
|
| η | 0.0007142 | Pa×s | 474.56 | Joback Calculated Property |
| η | 0.0002826 | Pa×s | 545.50 | Joback Calculated Property |
| η | 0.0001385 | Pa×s | 616.45 | Joback Calculated Property |
| η | 0.0000786 | Pa×s | 687.39 | Joback Calculated Property |
| η | 0.0000496 | Pa×s | 758.33 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 829.28 | Joback Calculated Property |
| η | 0.0000246 | Pa×s | 900.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isohexyl 4-octyl ester.
Sources
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