- InChI
- InChI=1S/C11H16O4/c1-4-9(3)15-11(13)8-6-7-10(12)14-5-2/h1,9H,5-8H2,2-3H3
- InChI Key
- OYNRAJCEBASJIZ-UHFFFAOYSA-N
- Formula
- C11H16O4
- SMILES
- C#CC(C)OC(=O)CCCC(=O)OCC
- Molecular Weight1
- 212.24
- 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° | -205.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.86 | kJ/mol | Joback Calculated Property |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 1.285 | Crippen Calculated Property | |
| McVol | 172.130 | ml/mol | McGowan Calculated Property |
| Pc | 2436.25 | kPa | Joback Calculated Property |
| Inp | [1428.00; 1428.00] |
|
|
| Inp | 1428.00 | NIST | |
| Inp | 1428.00 | NIST | |
| Tboil | 593.34 | K | Joback Calculated Property |
| Tc | 785.57 | K | Joback Calculated Property |
| Tfus | 390.02 | K | Joback Calculated Property |
| Vc | 0.655 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.99; 493.05] | J/mol×K | [593.34; 785.57] |
|
| Cp,gas | 423.99 | J/mol×K | 593.34 | Joback Calculated Property |
| Cp,gas | 437.01 | J/mol×K | 625.38 | Joback Calculated Property |
| Cp,gas | 449.43 | J/mol×K | 657.42 | Joback Calculated Property |
| Cp,gas | 461.23 | J/mol×K | 689.45 | Joback Calculated Property |
| Cp,gas | 472.44 | J/mol×K | 721.49 | Joback Calculated Property |
| Cp,gas | 483.04 | J/mol×K | 753.53 | Joback Calculated Property |
| Cp,gas | 493.05 | J/mol×K | 785.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl ethyl ester.
Sources
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