- InChI
- InChI=1S/C31H54O4/c1-6-8-9-10-11-14-17-20-26-34-30(32)22-18-15-12-13-16-19-23-31(33)35-29(25-24-27(3)4)28(5)21-7-2/h28-29H,3,6-23,26H2,1-2,4-5H3
- InChI Key
- AVGORLYEPAVZME-UHFFFAOYSA-N
- Formula
- C31H54O4
- SMILES
-
C=C(C)C#CC(OC(=O)CCCCCCCCC(=O)
OCCCCCCCCCC)C(C)CCC - Molecular Weight1
- 490.76
- 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° | 19.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -795.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 75.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.70 | kJ/mol | Joback Calculated Property |
| log10WS | -10.04 | Crippen Calculated Property | |
| logPoct/wat | 8.719 | Crippen Calculated Property | |
| McVol | 449.630 | ml/mol | McGowan Calculated Property |
| Pc | 664.60 | kPa | Joback Calculated Property |
| Inp | 3211.00 | NIST | |
| Tboil | 1065.94 | K | Joback Calculated Property |
| Tc | 1321.98 | K | Joback Calculated Property |
| Tfus | 643.83 | K | Joback Calculated Property |
| Vc | 1.752 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1581.92; 1678.60] | J/mol×K | [1065.94; 1321.98] | 
|
| Cp,gas | 1581.92 | J/mol×K | 1065.94 | Joback Calculated Property |
| Cp,gas | 1603.03 | J/mol×K | 1108.61 | Joback Calculated Property |
| Cp,gas | 1621.99 | J/mol×K | 1151.29 | Joback Calculated Property |
| Cp,gas | 1638.93 | J/mol×K | 1193.96 | Joback Calculated Property |
| Cp,gas | 1653.94 | J/mol×K | 1236.63 | Joback Calculated Property |
| Cp,gas | 1667.12 | J/mol×K | 1279.31 | Joback Calculated Property |
| Cp,gas | 1678.60 | J/mol×K | 1321.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, decyl 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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