- InChI
- InChI=1S/C24H36O5/c1-19(2)11-10-18-28-23(26)12-8-6-4-5-7-9-13-24(27)29-22-16-14-21(15-17-22)20(3)25/h14-17,19H,4-13,18H2,1-3H3
- InChI Key
- MPSKLDCXZVPRKR-UHFFFAOYSA-N
- Formula
- C24H36O5
- SMILES
-
CC(=O)c1ccc(OC(=O)CCCCCCCCC(=O
)OCCCC(C)C)cc1 - 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° | -345.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -921.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.63 | kJ/mol | Joback Calculated Property |
| log10WS | -6.93 | Crippen Calculated Property | |
| logPoct/wat | 5.895 | Crippen Calculated Property | |
| McVol | 341.710 | ml/mol | McGowan Calculated Property |
| Pc | 1079.93 | kPa | Joback Calculated Property |
| Inp | 3188.00 | NIST | |
| Tboil | 986.19 | K | Joback Calculated Property |
| Tc | 1207.44 | K | Joback Calculated Property |
| Tfus | 578.43 | K | Joback Calculated Property |
| Vc | 1.319 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1134.74; 1203.27] | J/mol×K | [986.19; 1207.44] | 
|
| Cp,gas | 1134.74 | J/mol×K | 986.19 | Joback Calculated Property |
| Cp,gas | 1149.75 | J/mol×K | 1023.07 | Joback Calculated Property |
| Cp,gas | 1163.27 | J/mol×K | 1059.94 | Joback Calculated Property |
| Cp,gas | 1175.34 | J/mol×K | 1096.82 | Joback Calculated Property |
| Cp,gas | 1186.01 | J/mol×K | 1133.69 | Joback Calculated Property |
| Cp,gas | 1195.30 | J/mol×K | 1170.57 | Joback Calculated Property |
| Cp,gas | 1203.27 | J/mol×K | 1207.44 | Joback Calculated Property |
| η | [0.0000264; 0.0003398] | Pa×s | [578.43; 986.19] |
|
| η | 0.0003398 | Pa×s | 578.43 | Joback Calculated Property |
| η | 0.0001775 | Pa×s | 646.39 | Joback Calculated Property |
| η | 0.0001049 | Pa×s | 714.35 | Joback Calculated Property |
| η | 0.0000679 | Pa×s | 782.31 | Joback Calculated Property |
| η | 0.0000472 | Pa×s | 850.27 | Joback Calculated Property |
| η | 0.0000346 | Pa×s | 918.23 | Joback Calculated Property |
| η | 0.0000264 | Pa×s | 986.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-acetylphenyl isohexyl ester.
Sources
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