- InChI
- InChI=1S/C12H18O4/c1-4-9-15-11(13)7-6-8-12(14)16-10(3)5-2/h2,10H,4,6-9H2,1,3H3
- InChI Key
- DAWILSNFMOZBRU-UHFFFAOYSA-N
- Formula
- C12H18O4
- SMILES
- C#CC(C)OC(=O)CCCC(=O)OCCC
- Molecular Weight1
- 226.27
- 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 | 0.6212 | Relay (1.0) Calculated Property | |
| ΔfG° | -197.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.675 | Crippen Calculated Property | |
| McVol | 186.220 | ml/mol | McGowan Calculated Property |
| Pc | 2220.80 | kPa | Joback Calculated Property |
| Inp | 1521.00 | NIST | |
| Tboil | 522.79 | K | Relay (1.0) Calculated Property |
| Tc | 688.97 | K | Relay (1.0) Calculated Property |
| Tfus | 280.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.679 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.11; 545.74] | J/mol×K | [616.22; 806.23] | 
|
| Cp,gas | 473.11 | J/mol×K | 616.22 | Joback Calculated Property |
| Cp,gas | 486.84 | J/mol×K | 647.89 | Joback Calculated Property |
| Cp,gas | 499.91 | J/mol×K | 679.56 | Joback Calculated Property |
| Cp,gas | 512.34 | J/mol×K | 711.23 | Joback Calculated Property |
| Cp,gas | 524.11 | J/mol×K | 742.90 | Joback Calculated Property |
| Cp,gas | 535.25 | J/mol×K | 774.56 | Joback Calculated Property |
| Cp,gas | 545.74 | J/mol×K | 806.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl propyl ester.
Sources
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