- InChI
- InChI=1S/C15H24O4/c1-5-7-8-9-13(4)19-15(17)11-10-14(16)18-12(3)6-2/h2,12-13H,5,7-11H2,1,3-4H3
- InChI Key
- XKJGVYJDZALHGR-UHFFFAOYSA-N
- Formula
- C15H24O4
- SMILES
- C#CC(C)OC(=O)CCC(=O)OC(C)CCCCC
- Molecular Weight1
- 268.35
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -730.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.843 | Crippen Calculated Property | |
| McVol | 228.490 | ml/mol | McGowan Calculated Property |
| Inp | 1680.00 | NIST | |
| Tboil | 540.59 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.43; 701.34] | J/mol×K | [648.48; 831.90] | 
|
| Cp,gas | 617.43 | J/mol×K | 648.48 | Joback Calculated Property |
| Cp,gas | 633.53 | J/mol×K | 679.05 | Joback Calculated Property |
| Cp,gas | 648.77 | J/mol×K | 709.62 | Joback Calculated Property |
| Cp,gas | 663.16 | J/mol×K | 740.19 | Joback Calculated Property |
| Cp,gas | 676.71 | J/mol×K | 770.76 | Joback Calculated Property |
| Cp,gas | 689.43 | J/mol×K | 801.33 | Joback Calculated Property |
| Cp,gas | 701.34 | J/mol×K | 831.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, but-3-yn-2-yl 2-heptyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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