- InChI
- InChI=1S/C27H46O4/c1-6-7-8-13-16-21-30-26(28)17-14-11-9-10-12-15-18-27(29)31-25(22-24(4)5)20-19-23(2)3/h24-25H,2,6-18,21-22H2,1,3-5H3
- InChI Key
- IAVVKLPKUWFYSV-UHFFFAOYSA-N
- Formula
- C27H46O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCCCCC
CCC(=O)OCCCCCCC - Molecular Weight1
- 434.65
- 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 | 1.0732 | Relay (... Calculated Property | |
| ΔfG° | -14.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -852.29 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 64.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.21 | kJ/mol | Relay (... Calculated Property |
| IE | 8.85 | eV | Relay (... Calculated Property |
| log10WS | -6.63 | Relay (... Calculated Property | |
| logPoct/wat | 7.158 | Crippen Calculated Property | |
| McVol | 393.270 | ml/mol | McGowan Calculated Property |
| Pc | 818.66 | kPa | Joback Calculated Property |
| Inp | 2819.00 | NIST | |
| Tboil | 645.49 | K | Relay (... Calculated Property |
| Tc | 827.43 | K | Relay (... Calculated Property |
| Tfus | 288.04 | K | Relay (... Calculated Property |
| Vc | 1.449 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1324.88; 1418.06] | J/mol×K | [974.42; 1194.01] | 
|
| Cp,gas | 1324.88 | J/mol×K | 974.42 | Joback Calculated Property |
| Cp,gas | 1344.12 | J/mol×K | 1011.02 | Joback Calculated Property |
| Cp,gas | 1361.81 | J/mol×K | 1047.62 | Joback Calculated Property |
| Cp,gas | 1377.99 | J/mol×K | 1084.22 | Joback Calculated Property |
| Cp,gas | 1392.72 | J/mol×K | 1120.82 | Joback Calculated Property |
| Cp,gas | 1406.06 | J/mol×K | 1157.41 | Joback Calculated Property |
| Cp,gas | 1418.06 | J/mol×K | 1194.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl heptyl ester.
Sources
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