- InChI
- InChI=1S/C14H20O4/c1-4-6-7-8-11-17-13(15)9-10-14(16)18-12(3)5-2/h2,4,12H,1,6-11H2,3H3
- InChI Key
- UTGIIJOFKANWHB-UHFFFAOYSA-N
- Formula
- C14H20O4
- SMILES
- C#CC(C)OC(=O)CCC(=O)OCCCCC=C
- Molecular Weight1
- 252.31
- 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° | -92.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -409.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 2.231 | Crippen Calculated Property | |
| McVol | 210.100 | ml/mol | McGowan Calculated Property |
| Pc | 1937.24 | kPa | Joback Calculated Property |
| Inp | [1680.00; 1680.00] |
|
|
| Inp | 1680.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Tboil | 658.66 | K | Joback Calculated Property |
| Tc | 847.95 | K | Joback Calculated Property |
| Tfus | 422.07 | K | Joback Calculated Property |
| Vc | 0.804 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.15; 628.35] | J/mol×K | [658.66; 847.95] |
|
| Cp,gas | 553.15 | J/mol×K | 658.66 | Joback Calculated Property |
| Cp,gas | 567.48 | J/mol×K | 690.21 | Joback Calculated Property |
| Cp,gas | 581.08 | J/mol×K | 721.76 | Joback Calculated Property |
| Cp,gas | 593.96 | J/mol×K | 753.31 | Joback Calculated Property |
| Cp,gas | 606.12 | J/mol×K | 784.85 | Joback Calculated Property |
| Cp,gas | 617.58 | J/mol×K | 816.40 | Joback Calculated Property |
| Cp,gas | 628.35 | J/mol×K | 847.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, but-3-yn-2-yl hex-5-en-1-yl ester.
Sources
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