- InChI
- InChI=1S/C15H22O4/c1-5-9-13(7-3)19-15(17)11-8-10-14(16)18-12(4)6-2/h6,12-13H,2,7-8,10-11H2,1,3-4H3
- InChI Key
- CEBIILHLXWTOOK-UHFFFAOYSA-N
- Formula
- C15H22O4
- SMILES
-
C=CC(C)OC(=O)CCCC(=O)OC(C#CC)C
C - 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 | 0.6199 | Relay (... Calculated Property | |
| ΔfG° | -106.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.27 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.09 | kJ/mol | Relay (... Calculated Property |
| IE | 9.19 | eV | Relay (... Calculated Property |
| log10WS | -2.65 | Relay (... Calculated Property | |
| logPoct/wat | 2.619 | Crippen Calculated Property | |
| McVol | 224.190 | ml/mol | McGowan Calculated Property |
| Pc | 1813.86 | kPa | Joback Calculated Property |
| Inp | [1726.00; 1726.00] |
|
|
| Inp | 1726.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Tboil | 542.88 | K | Relay (... Calculated Property |
| Tc | 722.61 | K | Relay (... Calculated Property |
| Tfus | 280.45 | K | Relay (... Calculated Property |
| Vc | 0.791 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.81; 690.10] | J/mol×K | [699.98; 898.37] |
|
| Cp,gas | 609.81 | J/mol×K | 699.98 | Joback Calculated Property |
| Cp,gas | 625.32 | J/mol×K | 733.04 | Joback Calculated Property |
| Cp,gas | 639.96 | J/mol×K | 766.11 | Joback Calculated Property |
| Cp,gas | 653.75 | J/mol×K | 799.17 | Joback Calculated Property |
| Cp,gas | 666.70 | J/mol×K | 832.24 | Joback Calculated Property |
| Cp,gas | 678.82 | J/mol×K | 865.30 | Joback Calculated Property |
| Cp,gas | 690.10 | J/mol×K | 898.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-en-2-yl hex-4-yn-3-yl ester.
Sources
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