- InChI
- InChI=1S/C29H50O4/c1-6-8-9-10-15-18-24-32-28(30)20-16-13-11-12-14-17-21-29(31)33-27(23-22-25(3)4)26(5)19-7-2/h26-27H,3,6-21,24H2,1-2,4-5H3
- InChI Key
- PCLLCYBBVNKYAX-UHFFFAOYSA-N
- Formula
- C29H50O4
- SMILES
-
C=C(C)C#CC(OC(=O)CCCCCCCCC(=O)
OCCCCCCCC)C(C)CCC - Molecular Weight1
- 462.70
- 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 | 1.1324 | Relay (... Calculated Property | |
| ΔfG° | 2.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -878.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 69.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.35 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -7.09 | Relay (... Calculated Property | |
| logPoct/wat | 7.938 | Crippen Calculated Property | |
| McVol | 421.450 | ml/mol | McGowan Calculated Property |
| Pc | 735.62 | kPa | Joback Calculated Property |
| Inp | 3014.00 | NIST | |
| Tboil | 661.73 | K | Relay (... Calculated Property |
| Tc | 843.75 | K | Relay (... Calculated Property |
| Tfus | 287.65 | K | Relay (... Calculated Property |
| Vc | 1.544 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1452.74; 1547.63] | J/mol×K | [1020.18; 1255.40] | 
|
| Cp,gas | 1452.74 | J/mol×K | 1020.18 | Joback Calculated Property |
| Cp,gas | 1472.83 | J/mol×K | 1059.38 | Joback Calculated Property |
| Cp,gas | 1491.10 | J/mol×K | 1098.59 | Joback Calculated Property |
| Cp,gas | 1507.65 | J/mol×K | 1137.79 | Joback Calculated Property |
| Cp,gas | 1522.54 | J/mol×K | 1176.99 | Joback Calculated Property |
| Cp,gas | 1535.84 | J/mol×K | 1216.20 | Joback Calculated Property |
| Cp,gas | 1547.63 | J/mol×K | 1255.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl octyl ester.
Sources
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