- InChI
- InChI=1S/C24H36O5/c1-3-4-5-14-19-28-23(26)17-10-8-6-7-9-11-18-24(27)29-22-16-13-12-15-21(22)20(2)25/h12-13,15-16H,3-11,14,17-19H2,1-2H3
- InChI Key
- KBEYRQAFLKKBOX-UHFFFAOYSA-N
- Formula
- C24H36O5
- SMILES
-
CCCCCCOC(=O)CCCCCCCCC(=O)Oc1cc
ccc1C(C)=O - Molecular Weight1
- 404.54
- 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° | -342.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -915.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.01 | kJ/mol | Joback Calculated Property |
| log10WS | -7.17 | Crippen Calculated Property | |
| logPoct/wat | 6.039 | Crippen Calculated Property | |
| McVol | 341.710 | ml/mol | McGowan Calculated Property |
| Pc | 1074.28 | kPa | Joback Calculated Property |
| Inp | [3023.00; 3023.00] |
|
|
| Inp | 3023.00 | NIST | |
| Inp | 3023.00 | NIST | |
| Tboil | 986.63 | K | Joback Calculated Property |
| Tc | 1207.91 | K | Joback Calculated Property |
| Tfus | 593.43 | K | Joback Calculated Property |
| Vc | 1.325 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1134.37; 1203.45] | J/mol×K | [986.63; 1207.91] |
|
| Cp,gas | 1134.37 | J/mol×K | 986.63 | Joback Calculated Property |
| Cp,gas | 1149.44 | J/mol×K | 1023.51 | Joback Calculated Property |
| Cp,gas | 1163.03 | J/mol×K | 1060.39 | Joback Calculated Property |
| Cp,gas | 1175.18 | J/mol×K | 1097.27 | Joback Calculated Property |
| Cp,gas | 1185.94 | J/mol×K | 1134.15 | Joback Calculated Property |
| Cp,gas | 1195.35 | J/mol×K | 1171.03 | Joback Calculated Property |
| Cp,gas | 1203.45 | J/mol×K | 1207.91 | Joback Calculated Property |
| η | [0.0000290; 0.0003118] | Pa×s | [593.43; 986.63] |
|
| η | 0.0003118 | Pa×s | 593.43 | Joback Calculated Property |
| η | 0.0001724 | Pa×s | 658.96 | Joback Calculated Property |
| η | 0.0001061 | Pa×s | 724.50 | Joback Calculated Property |
| η | 0.0000708 | Pa×s | 790.03 | Joback Calculated Property |
| η | 0.0000503 | Pa×s | 855.56 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 921.10 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 986.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-acetylphenyl hexyl ester.
Sources
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