- InChI
- InChI=1S/C13H20O4/c1-4-6-10-16-12(14)8-7-9-13(15)17-11(3)5-2/h2,11H,4,6-10H2,1,3H3
- InChI Key
- ASVRPQCLPQTIBM-UHFFFAOYSA-N
- Formula
- C13H20O4
- SMILES
- C#CC(C)OC(=O)CCCC(=O)OCCCC
- Molecular Weight1
- 240.30
- 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° | -188.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -514.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.31 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.065 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 2032.72 | kPa | Joback Calculated Property |
| Inp | [1616.00; 1616.00] |
|
|
| Inp | 1616.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Tboil | 639.10 | K | Joback Calculated Property |
| Tc | 827.18 | K | Joback Calculated Property |
| Tfus | 412.56 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.79; 599.52] | J/mol×K | [639.10; 827.18] |
|
| Cp,gas | 523.79 | J/mol×K | 639.10 | Joback Calculated Property |
| Cp,gas | 538.14 | J/mol×K | 670.45 | Joback Calculated Property |
| Cp,gas | 551.79 | J/mol×K | 701.79 | Joback Calculated Property |
| Cp,gas | 564.74 | J/mol×K | 733.14 | Joback Calculated Property |
| Cp,gas | 577.01 | J/mol×K | 764.49 | Joback Calculated Property |
| Cp,gas | 588.61 | J/mol×K | 795.84 | Joback Calculated Property |
| Cp,gas | 599.52 | J/mol×K | 827.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl butyl ester.
Sources
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