- InChI
- InChI=1S/C22H36O4/c1-8-11-18(7)20(15-14-16(3)4)26-22(24)13-10-12-21(23)25-19(9-2)17(5)6/h17-20H,3,8-13H2,1-2,4-7H3
- InChI Key
- KNEXJLNFHAWLBX-UHFFFAOYSA-N
- Formula
- C22H36O4
- SMILES
-
C=C(C)C#CC(OC(=O)CCCC(=O)OC(CC
)C(C)C)C(C)CCC - Molecular Weight1
- 364.52
- 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 | 0.7991 | Relay (... Calculated Property | |
| ΔfG° | -61.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -751.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 44.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.77 | kJ/mol | Relay (... Calculated Property |
| IE | 8.70 | eV | Relay (... Calculated Property |
| log10WS | -4.71 | Relay (... Calculated Property | |
| logPoct/wat | 5.062 | Crippen Calculated Property | |
| McVol | 322.820 | ml/mol | McGowan Calculated Property |
| Pc | 1111.85 | kPa | Joback Calculated Property |
| Inp | 2171.00 | NIST | |
| Tboil | 605.80 | K | Relay (... Calculated Property |
| Tc | 784.10 | K | Relay (... Calculated Property |
| Tfus | 268.57 | K | Relay (... Calculated Property |
| Vc | 1.148 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1014.47; 1104.26] | J/mol×K | [859.14; 1060.62] | 
|
| Cp,gas | 1014.47 | J/mol×K | 859.14 | Joback Calculated Property |
| Cp,gas | 1032.39 | J/mol×K | 892.72 | Joback Calculated Property |
| Cp,gas | 1049.10 | J/mol×K | 926.30 | Joback Calculated Property |
| Cp,gas | 1064.61 | J/mol×K | 959.88 | Joback Calculated Property |
| Cp,gas | 1078.96 | J/mol×K | 993.46 | Joback Calculated Property |
| Cp,gas | 1092.17 | J/mol×K | 1027.04 | Joback Calculated Property |
| Cp,gas | 1104.26 | J/mol×K | 1060.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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