- InChI
- InChI=1S/C13H16O4/c1-5-10(3)16-12(14)8-7-9-13(15)17-11(4)6-2/h1-2,10-11H,7-9H2,3-4H3
- InChI Key
- MEAKCWZVIFPMNT-UHFFFAOYSA-N
- Formula
- C13H16O4
- SMILES
- C#CC(C)OC(=O)CCCC(=O)OC(C)C#C
- Molecular Weight1
- 236.26
- 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° | 32.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 1.286 | Crippen Calculated Property | |
| McVol | 191.710 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| Inp | [1563.00; 1563.00] |
|
|
| Inp | 1563.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Tboil | 628.78 | K | Joback Calculated Property |
| Tc | 831.29 | K | Joback Calculated Property |
| Tfus | 444.53 | K | Joback Calculated Property |
| Vc | 0.724 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.47; 550.73] | J/mol×K | [628.78; 831.29] |
|
| Cp,gas | 480.47 | J/mol×K | 628.78 | Joback Calculated Property |
| Cp,gas | 493.96 | J/mol×K | 662.53 | Joback Calculated Property |
| Cp,gas | 506.72 | J/mol×K | 696.28 | Joback Calculated Property |
| Cp,gas | 518.77 | J/mol×K | 730.04 | Joback Calculated Property |
| Cp,gas | 530.11 | J/mol×K | 763.79 | Joback Calculated Property |
| Cp,gas | 540.76 | J/mol×K | 797.54 | Joback Calculated Property |
| Cp,gas | 550.73 | J/mol×K | 831.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(but-3-yn-2-yl) ester.
Sources
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