- InChI
- InChI=1S/C28H48O4/c1-6-8-9-10-11-12-13-14-15-16-23-31-27(29)19-17-20-28(30)32-26(22-21-24(3)4)25(5)18-7-2/h25-26H,3,6-20,23H2,1-2,4-5H3
- InChI Key
- YEYORMVWJHRRKB-UHFFFAOYSA-N
- Formula
- C28H48O4
- SMILES
-
C=C(C)C#CC(OC(=O)CCCC(=O)OCCCC
CCCCCCCC)C(C)CCC - Molecular Weight1
- 448.68
- 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 | 1.0955 | Relay (... Calculated Property | |
| ΔfG° | -5.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -857.85 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 67.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.94 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -6.87 | Relay (... Calculated Property | |
| logPoct/wat | 7.548 | Crippen Calculated Property | |
| McVol | 407.360 | ml/mol | McGowan Calculated Property |
| Pc | 775.48 | kPa | Joback Calculated Property |
| Inp | 2941.00 | NIST | |
| Tboil | 659.65 | K | Relay (... Calculated Property |
| Tc | 839.31 | K | Relay (... Calculated Property |
| Tfus | 287.44 | K | Relay (... Calculated Property |
| Vc | 1.489 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1388.63; 1482.64] | J/mol×K | [997.30; 1224.10] | 
|
| Cp,gas | 1388.63 | J/mol×K | 997.30 | Joback Calculated Property |
| Cp,gas | 1408.27 | J/mol×K | 1035.10 | Joback Calculated Property |
| Cp,gas | 1426.24 | J/mol×K | 1072.90 | Joback Calculated Property |
| Cp,gas | 1442.60 | J/mol×K | 1110.70 | Joback Calculated Property |
| Cp,gas | 1457.41 | J/mol×K | 1148.50 | Joback Calculated Property |
| Cp,gas | 1470.74 | J/mol×K | 1186.30 | Joback Calculated Property |
| Cp,gas | 1482.64 | J/mol×K | 1224.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl dodecyl ester.
Sources
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