- InChI
- InChI=1S/C28H52O4/c1-4-5-6-7-8-9-10-11-14-17-20-24-31-27(29)21-18-15-12-13-16-19-22-28(30)32-25-23-26(2)3/h2,4-25H2,1,3H3
- InChI Key
- HLKCAQQTWCBNBS-UHFFFAOYSA-N
- Formula
- C28H52O4
- SMILES
-
C=C(C)CCOC(=O)CCCCCCCCC(=O)OCC
CCCCCCCCCCC - Molecular Weight1
- 452.71
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -203.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -995.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 71.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.64 | kJ/mol | Joback Calculated Property |
| log10WS | -9.12 | Crippen Calculated Property | |
| logPoct/wat | 8.471 | Crippen Calculated Property | |
| McVol | 415.960 | ml/mol | McGowan Calculated Property |
| Pc | 704.71 | kPa | Joback Calculated Property |
| Inp | 3159.00 | NIST | |
| Tboil | 989.18 | K | Joback Calculated Property |
| Tc | 1224.31 | K | Joback Calculated Property |
| Tfus | 533.92 | K | Joback Calculated Property |
| Vc | 1.633 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1443.87; 1549.31] | J/mol×K | [989.18; 1224.31] | 
|
| Cp,gas | 1443.87 | J/mol×K | 989.18 | Joback Calculated Property |
| Cp,gas | 1465.85 | J/mol×K | 1028.37 | Joback Calculated Property |
| Cp,gas | 1485.96 | J/mol×K | 1067.56 | Joback Calculated Property |
| Cp,gas | 1504.28 | J/mol×K | 1106.74 | Joback Calculated Property |
| Cp,gas | 1520.89 | J/mol×K | 1145.93 | Joback Calculated Property |
| Cp,gas | 1535.88 | J/mol×K | 1185.12 | Joback Calculated Property |
| Cp,gas | 1549.31 | J/mol×K | 1224.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3-methylbut-3-enyl tridecyl ester.
Sources
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