- InChI
- InChI=1S/C13H20O4/c1-4-8-11(5-2)17-13(15)10-7-9-12(14)16-6-3/h11H,5-7,9-10H2,1-3H3
- InChI Key
- QZNNXROZCXVZBK-UHFFFAOYSA-N
- Formula
- C13H20O4
- SMILES
- CC#CC(CC)OC(=O)CCCC(=O)OCC
- 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° | -208.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.61 | 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 | 2054.89 | kPa | Joback Calculated Property |
| Inp | [1669.00; 1669.00] |
|
|
| Inp | 1669.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Tboil | 657.98 | K | Joback Calculated Property |
| Tc | 854.21 | K | Joback Calculated Property |
| Tfus | 471.69 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [526.43; 604.14] | J/mol×K | [657.98; 854.21] |
|
| Cp,gas | 526.43 | J/mol×K | 657.98 | Joback Calculated Property |
| Cp,gas | 541.24 | J/mol×K | 690.68 | Joback Calculated Property |
| Cp,gas | 555.31 | J/mol×K | 723.39 | Joback Calculated Property |
| Cp,gas | 568.64 | J/mol×K | 756.09 | Joback Calculated Property |
| Cp,gas | 581.22 | J/mol×K | 788.80 | Joback Calculated Property |
| Cp,gas | 593.06 | J/mol×K | 821.50 | Joback Calculated Property |
| Cp,gas | 604.14 | J/mol×K | 854.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl hex-4-yn-3-yl ester.
Sources
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