- InChI
- InChI=1S/C18H32O4/c1-4-14-21-17(19)11-9-7-5-6-8-10-12-18(20)22-15-13-16(2)3/h2,4-15H2,1,3H3
- InChI Key
- XUATVJXNMWJWRD-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
-
C=C(C)CCOC(=O)CCCCCCCCC(=O)OCC
C - Molecular Weight1
- 312.44
- 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° | -287.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -788.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.38 | kJ/mol | Joback Calculated Property |
| log10WS | -4.94 | Crippen Calculated Property | |
| logPoct/wat | 4.570 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Pc | 1269.16 | kPa | Joback Calculated Property |
| Inp | 2167.00 | NIST | |
| Tboil | 760.38 | K | Joback Calculated Property |
| Tc | 941.30 | K | Joback Calculated Property |
| Tfus | 421.22 | K | Joback Calculated Property |
| Vc | 1.073 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [823.33; 912.00] | J/mol×K | [760.38; 941.30] | 
|
| Cp,gas | 823.33 | J/mol×K | 760.38 | Joback Calculated Property |
| Cp,gas | 840.31 | J/mol×K | 790.53 | Joback Calculated Property |
| Cp,gas | 856.40 | J/mol×K | 820.69 | Joback Calculated Property |
| Cp,gas | 871.59 | J/mol×K | 850.84 | Joback Calculated Property |
| Cp,gas | 885.91 | J/mol×K | 880.99 | Joback Calculated Property |
| Cp,gas | 899.38 | J/mol×K | 911.14 | Joback Calculated Property |
| Cp,gas | 912.00 | J/mol×K | 941.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3-methylbut-3-enyl propyl ester.
Sources
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