- InChI
- InChI=1S/C15H22O4/c1-4-6-7-8-12-18-14(16)10-9-11-15(17)19-13(3)5-2/h2,4,6,13H,7-12H2,1,3H3/b6-4+
- InChI Key
- CXJKCQCPNAMAJI-GQCTYLIASA-N
- Formula
- C15H22O4
- SMILES
- C#CC(C)OC(=O)CCCC(=O)OCCCC=CC
- Molecular Weight1
- 266.33
- 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 | 0.6752 | Relay (... Calculated Property | |
| ΔfG° | -91.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.56 | kJ/mol | Relay (... Calculated Property |
| IE | 9.11 | eV | Relay (... Calculated Property |
| log10WS | -2.81 | Relay (... Calculated Property | |
| logPoct/wat | 2.621 | Crippen Calculated Property | |
| McVol | 224.190 | ml/mol | McGowan Calculated Property |
| Pc | 1798.51 | kPa | Joback Calculated Property |
| Inp | [1854.00; 1854.00] |
|
|
| Inp | 1854.00 | NIST | |
| Inp | 1854.00 | NIST | |
| Tboil | 561.24 | K | Relay (... Calculated Property |
| Tc | 731.08 | K | Relay (... Calculated Property |
| Tfus | 288.42 | K | Relay (... Calculated Property |
| Vc | 0.791 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.86; 684.65] | J/mol×K | [689.02; 880.20] |
|
| Cp,gas | 606.86 | J/mol×K | 689.02 | Joback Calculated Property |
| Cp,gas | 621.73 | J/mol×K | 720.88 | Joback Calculated Property |
| Cp,gas | 635.81 | J/mol×K | 752.75 | Joback Calculated Property |
| Cp,gas | 649.12 | J/mol×K | 784.61 | Joback Calculated Property |
| Cp,gas | 661.69 | J/mol×K | 816.47 | Joback Calculated Property |
| Cp,gas | 673.52 | J/mol×K | 848.33 | Joback Calculated Property |
| Cp,gas | 684.65 | J/mol×K | 880.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-en-1-yl but-3-yn-2-yl ester.
Sources
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