- InChI
- InChI=1S/C19H30O4/c1-14(2)10-11-17(12-15(3)4)23-19(21)9-7-8-18(20)22-13-16(5)6/h15-17H,1,7-9,12-13H2,2-6H3
- InChI Key
- QSNUCIJDHPHWLB-UHFFFAOYSA-N
- Formula
- C19H30O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=
O)OCC(C)C - Molecular Weight1
- 322.44
- 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 | 0.7509 | Relay (... Calculated Property | |
| ΔfG° | -83.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -699.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.72 | kJ/mol | Relay (... Calculated Property |
| IE | 8.79 | eV | Relay (... Calculated Property |
| log10WS | -4.12 | Relay (... Calculated Property | |
| logPoct/wat | 3.893 | Crippen Calculated Property | |
| McVol | 280.550 | ml/mol | McGowan Calculated Property |
| Pc | 1352.64 | kPa | Joback Calculated Property |
| Inp | 2042.00 | NIST | |
| Tboil | 578.59 | K | Relay (... Calculated Property |
| Tc | 757.71 | K | Relay (... Calculated Property |
| Tfus | 280.29 | K | Relay (... Calculated Property |
| Vc | 1.015 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [835.19; 922.63] | J/mol×K | [790.94; 989.34] | 
|
| Cp,gas | 835.19 | J/mol×K | 790.94 | Joback Calculated Property |
| Cp,gas | 852.36 | J/mol×K | 824.01 | Joback Calculated Property |
| Cp,gas | 868.47 | J/mol×K | 857.07 | Joback Calculated Property |
| Cp,gas | 883.53 | J/mol×K | 890.14 | Joback Calculated Property |
| Cp,gas | 897.56 | J/mol×K | 923.21 | Joback Calculated Property |
| Cp,gas | 910.59 | J/mol×K | 956.27 | Joback Calculated Property |
| Cp,gas | 922.63 | J/mol×K | 989.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isobutyl ester.
Sources
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