- InChI
- InChI=1S/C15H24O4/c1-5-13(4)19-15(17)10-6-9-14(16)18-11-7-8-12(2)3/h1,12-13H,6-11H2,2-4H3
- InChI Key
- ODFVLBINMDSXIJ-UHFFFAOYSA-N
- Formula
- C15H24O4
- SMILES
- C#CC(C)OC(=O)CCCC(=O)OCCCC(C)C
- Molecular Weight1
- 268.35
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -174.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -561.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.38 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 2.701 | Crippen Calculated Property | |
| McVol | 228.490 | ml/mol | McGowan Calculated Property |
| Pc | 1733.22 | kPa | Joback Calculated Property |
| Inp | 1778.00 | NIST | |
| Tboil | 684.42 | K | Joback Calculated Property |
| Tc | 872.41 | K | Joback Calculated Property |
| Tfus | 420.10 | K | Joback Calculated Property |
| Vc | 0.874 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [629.90; 711.75] | J/mol×K | [684.42; 872.41] | 
|
| Cp,gas | 629.90 | J/mol×K | 684.42 | Joback Calculated Property |
| Cp,gas | 645.54 | J/mol×K | 715.75 | Joback Calculated Property |
| Cp,gas | 660.36 | J/mol×K | 747.08 | Joback Calculated Property |
| Cp,gas | 674.38 | J/mol×K | 778.42 | Joback Calculated Property |
| Cp,gas | 687.61 | J/mol×K | 809.75 | Joback Calculated Property |
| Cp,gas | 700.07 | J/mol×K | 841.08 | Joback Calculated Property |
| Cp,gas | 711.75 | J/mol×K | 872.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl isohexyl ester.
Sources
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