- InChI
- InChI=1S/C27H48O4/c1-5-7-9-10-15-18-22-30-26(28)20-16-13-11-12-14-17-21-27(29)31-25(19-8-6-2)23-24(3)4/h24-25H,5-7,9-18,20-23H2,1-4H3
- InChI Key
- QFVAMJVNRXCVEA-UHFFFAOYSA-N
- Formula
- C27H48O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCCCCCCCC(
=O)OCCCCCCCC - Molecular Weight1
- 436.67
- 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 | 1.0931 | Relay (... Calculated Property | |
| ΔfG° | -93.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -946.37 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 67.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.44 | kJ/mol | Relay (... Calculated Property |
| IE | 9.20 | eV | Relay (... Calculated Property |
| log10WS | -6.84 | Relay (... Calculated Property | |
| logPoct/wat | 7.382 | Crippen Calculated Property | |
| McVol | 397.570 | ml/mol | McGowan Calculated Property |
| Pc | 797.08 | kPa | Joback Calculated Property |
| Inp | 2901.00 | NIST | |
| Tboil | 643.09 | K | Relay (... Calculated Property |
| Tc | 832.62 | K | Relay (... Calculated Property |
| Tfus | 284.05 | K | Relay (... Calculated Property |
| Vc | 1.475 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1355.24; 1449.72] | J/mol×K | [977.86; 1199.72] | 
|
| Cp,gas | 1355.24 | J/mol×K | 977.86 | Joback Calculated Property |
| Cp,gas | 1375.00 | J/mol×K | 1014.84 | Joback Calculated Property |
| Cp,gas | 1393.10 | J/mol×K | 1051.81 | Joback Calculated Property |
| Cp,gas | 1409.57 | J/mol×K | 1088.79 | Joback Calculated Property |
| Cp,gas | 1424.46 | J/mol×K | 1125.76 | Joback Calculated Property |
| Cp,gas | 1437.83 | J/mol×K | 1162.74 | Joback Calculated Property |
| Cp,gas | 1449.72 | J/mol×K | 1199.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-methyloct-5-yn-4-yl octyl ester.
Sources
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