- InChI
- InChI=1S/C20H32O4/c1-7-9-17(6)18(13-12-15(2)3)24-20(22)11-8-10-19(21)23-14-16(4)5/h16-18H,2,7-11,14H2,1,3-6H3
- InChI Key
- JYJVOFSLLWWLHJ-UHFFFAOYSA-N
- Formula
- C20H32O4
- SMILES
-
C=C(C)C#CC(OC(=O)CCCC(=O)OCC(C
)C)C(C)CCC - Molecular Weight1
- 336.47
- 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 | 0.7748 | Relay (... Calculated Property | |
| ΔfG° | -75.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.79 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 43.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.02 | kJ/mol | Relay (... Calculated Property |
| IE | 8.77 | eV | Relay (... Calculated Property |
| log10WS | -4.35 | Relay (... Calculated Property | |
| logPoct/wat | 4.283 | Crippen Calculated Property | |
| McVol | 294.640 | ml/mol | McGowan Calculated Property |
| Pc | 1261.95 | kPa | Joback Calculated Property |
| Inp | 2121.00 | NIST | |
| Tboil | 592.13 | K | Relay (... Calculated Property |
| Tc | 766.29 | K | Relay (... Calculated Property |
| Tfus | 274.77 | K | Relay (... Calculated Property |
| Vc | 1.055 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [893.97; 982.21] | J/mol×K | [813.82; 1012.11] | 
|
| Cp,gas | 893.97 | J/mol×K | 813.82 | Joback Calculated Property |
| Cp,gas | 911.36 | J/mol×K | 846.87 | Joback Calculated Property |
| Cp,gas | 927.65 | J/mol×K | 879.92 | Joback Calculated Property |
| Cp,gas | 942.86 | J/mol×K | 912.97 | Joback Calculated Property |
| Cp,gas | 957.01 | J/mol×K | 946.01 | Joback Calculated Property |
| Cp,gas | 970.12 | J/mol×K | 979.06 | Joback Calculated Property |
| Cp,gas | 982.21 | J/mol×K | 1012.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester.
Sources
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