- InChI
- InChI=1S/C14H20O4/c1-4-7-11-17-13(15)9-10-14(16)18-12(6-3)8-5-2/h4,12H,1,6-7,9-11H2,2-3H3
- InChI Key
- DQKSRAISZVQSHQ-UHFFFAOYSA-N
- Formula
- C14H20O4
- SMILES
- C=CCCOC(=O)CCC(=O)OC(C#CC)CC
- 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° | -112.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -429.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.16 | 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 | 1957.87 | kPa | Joback Calculated Property |
| Inp | [1723.00; 1723.00] |
|
|
| Inp | 1723.00 | NIST | |
| Inp | 1723.00 | NIST | |
| Tboil | 677.54 | K | Joback Calculated Property |
| Tc | 874.77 | K | Joback Calculated Property |
| Tfus | 481.20 | K | Joback Calculated Property |
| Vc | 0.804 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.91; 632.89] | J/mol×K | [677.54; 874.77] |
|
| Cp,gas | 555.91 | J/mol×K | 677.54 | Joback Calculated Property |
| Cp,gas | 570.67 | J/mol×K | 710.41 | Joback Calculated Property |
| Cp,gas | 584.66 | J/mol×K | 743.28 | Joback Calculated Property |
| Cp,gas | 597.87 | J/mol×K | 776.16 | Joback Calculated Property |
| Cp,gas | 610.31 | J/mol×K | 809.03 | Joback Calculated Property |
| Cp,gas | 621.98 | J/mol×K | 841.90 | Joback Calculated Property |
| Cp,gas | 632.89 | J/mol×K | 874.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl but-3-en-1-yl ester.
Sources
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