- InChI
- InChI=1S/C13H20O4/c1-5-11(4)17-13(15)8-6-7-12(14)16-9-10(2)3/h1,10-11H,6-9H2,2-4H3
- InChI Key
- PRLVZJOLCQXAPI-UHFFFAOYSA-N
- Formula
- C13H20O4
- SMILES
- C#CC(C)OC(=O)CCCC(=O)OCC(C)C
- Molecular Weight1
- 240.30
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6335 | Relay (1.0) Calculated Property | |
| ΔfG° | -191.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.921 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 2047.46 | kPa | Joback Calculated Property |
| Inp | 1580.00 | NIST | |
| Tboil | 528.85 | K | Relay (1.0) Calculated Property |
| Tc | 698.72 | K | Relay (1.0) Calculated Property |
| Tfus | 293.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.728 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.25; 601.20] | J/mol×K | [638.66; 829.97] | 
|
| Cp,gas | 524.25 | J/mol×K | 638.66 | Joback Calculated Property |
| Cp,gas | 538.88 | J/mol×K | 670.54 | Joback Calculated Property |
| Cp,gas | 552.78 | J/mol×K | 702.43 | Joback Calculated Property |
| Cp,gas | 565.96 | J/mol×K | 734.31 | Joback Calculated Property |
| Cp,gas | 578.41 | J/mol×K | 766.20 | Joback Calculated Property |
| Cp,gas | 590.16 | J/mol×K | 798.08 | Joback Calculated Property |
| Cp,gas | 601.20 | J/mol×K | 829.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl isobutyl ester.
Sources
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