- InChI
- InChI=1S/C15H22O4/c1-4-7-12-18-14(16)10-8-11-15(17)19-13(6-3)9-5-2/h4,13H,1,6-8,10-12H2,2-3H3
- InChI Key
- WLWJFPBIPBUKGT-UHFFFAOYSA-N
- Formula
- C15H22O4
- SMILES
- C=CCCOC(=O)CCCC(=O)OC(C#CC)CC
- Molecular Weight1
- 266.33
- 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° | -104.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.59 | Crippen Calculated Property | |
| logPoct/wat | 2.621 | Crippen Calculated Property | |
| McVol | 224.190 | ml/mol | McGowan Calculated Property |
| Pc | 1801.56 | kPa | Joback Calculated Property |
| Inp | 1810.00 | NIST | |
| Tboil | 700.42 | K | Joback Calculated Property |
| Tc | 895.74 | K | Joback Calculated Property |
| Tfus | 492.47 | K | Joback Calculated Property |
| Vc | 0.861 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.30; 688.54] | J/mol×K | [700.42; 895.74] | 
|
| Cp,gas | 609.30 | J/mol×K | 700.42 | Joback Calculated Property |
| Cp,gas | 624.54 | J/mol×K | 732.97 | Joback Calculated Property |
| Cp,gas | 638.96 | J/mol×K | 765.53 | Joback Calculated Property |
| Cp,gas | 652.56 | J/mol×K | 798.08 | Joback Calculated Property |
| Cp,gas | 665.35 | J/mol×K | 830.63 | Joback Calculated Property |
| Cp,gas | 677.34 | J/mol×K | 863.18 | Joback Calculated Property |
| Cp,gas | 688.54 | J/mol×K | 895.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl but-3-en-1-yl ester.
Sources
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