- InChI
- InChI=1S/C15H24O4/c1-4-6-7-8-12-18-14(16)10-9-11-15(17)19-13(3)5-2/h2,13H,4,6-12H2,1,3H3
- InChI Key
- AQUIQNLTUQCXNA-UHFFFAOYSA-N
- Formula
- C15H24O4
- SMILES
- C#CC(C)OC(=O)CCCC(=O)OCCCCCC
- 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° | -171.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.77 | kJ/mol | Joback Calculated Property |
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 2.845 | Crippen Calculated Property | |
| McVol | 228.490 | ml/mol | McGowan Calculated Property |
| Pc | 1721.73 | kPa | Joback Calculated Property |
| Inp | 1817.00 | NIST | |
| Tboil | 684.86 | K | Joback Calculated Property |
| Tc | 870.12 | K | Joback Calculated Property |
| Tfus | 435.10 | K | Joback Calculated Property |
| Vc | 0.879 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [629.42; 710.21] | J/mol×K | [684.86; 870.12] | 
|
| Cp,gas | 629.42 | J/mol×K | 684.86 | Joback Calculated Property |
| Cp,gas | 644.80 | J/mol×K | 715.74 | Joback Calculated Property |
| Cp,gas | 659.40 | J/mol×K | 746.61 | Joback Calculated Property |
| Cp,gas | 673.23 | J/mol×K | 777.49 | Joback Calculated Property |
| Cp,gas | 686.30 | J/mol×K | 808.37 | Joback Calculated Property |
| Cp,gas | 698.62 | J/mol×K | 839.25 | Joback Calculated Property |
| Cp,gas | 710.21 | J/mol×K | 870.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl hexyl ester.
Sources
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