- InChI
- InChI=1S/C24H40O4/c1-19(2)15-16-22(17-20(3)4)28-24(26)14-12-10-8-7-9-11-13-23(25)27-18-21(5)6/h20-22H,1,7-14,17-18H2,2-6H3
- InChI Key
- DRVBDKSCKHKMLN-UHFFFAOYSA-N
- Formula
- C24H40O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCCCCC
CCC(=O)OCC(C)C - Molecular Weight1
- 392.57
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9436 | Relay (... Calculated Property | |
| ΔfG° | -41.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -804.36 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 53.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.72 | kJ/mol | Relay (... Calculated Property |
| IE | 8.83 | eV | Relay (... Calculated Property |
| log10WS | -5.74 | Relay (... Calculated Property | |
| logPoct/wat | 5.844 | Crippen Calculated Property | |
| McVol | 351.000 | ml/mol | McGowan Calculated Property |
| Pc | 977.17 | kPa | Joback Calculated Property |
| Inp | 2507.00 | NIST | |
| Tboil | 620.35 | K | Relay (... Calculated Property |
| Tc | 802.65 | K | Relay (... Calculated Property |
| Tfus | 289.79 | K | Relay (... Calculated Property |
| Vc | 1.287 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1136.81; 1227.50] | J/mol×K | [905.34; 1110.27] | 
|
| Cp,gas | 1136.81 | J/mol×K | 905.34 | Joback Calculated Property |
| Cp,gas | 1155.08 | J/mol×K | 939.50 | Joback Calculated Property |
| Cp,gas | 1172.05 | J/mol×K | 973.65 | Joback Calculated Property |
| Cp,gas | 1187.74 | J/mol×K | 1007.81 | Joback Calculated Property |
| Cp,gas | 1202.19 | J/mol×K | 1041.96 | Joback Calculated Property |
| Cp,gas | 1215.43 | J/mol×K | 1076.12 | Joback Calculated Property |
| Cp,gas | 1227.50 | J/mol×K | 1110.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl isobutyl ester.
Sources
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