- InChI
- InChI=1S/C12H18O4/c1-5-10(4)16-12(14)8-6-7-11(13)15-9(2)3/h1,9-10H,6-8H2,2-4H3
- InChI Key
- GIMMHMKISOBPSW-UHFFFAOYSA-N
- Formula
- C12H18O4
- SMILES
- C#CC(C)OC(=O)CCCC(=O)OC(C)C
- 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 | 0.5900 | Relay (... Calculated Property | |
| ΔfG° | -199.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.14 | kJ/mol | Relay (... Calculated Property |
| IE | 9.77 | eV | Relay (... Calculated Property |
| log10WS | -2.04 | Relay (... Calculated Property | |
| logPoct/wat | 1.673 | Crippen Calculated Property | |
| McVol | 186.220 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | 1410.00 | NIST | |
| Tboil | 505.38 | K | Relay (... Calculated Property |
| Tc | 683.12 | K | Relay (... Calculated Property |
| Tfus | 299.60 | K | Relay (... Calculated Property |
| Vc | 0.684 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.55; 547.46] | J/mol×K | [615.78; 809.26] | 
|
| Cp,gas | 473.55 | J/mol×K | 615.78 | Joback Calculated Property |
| Cp,gas | 487.57 | J/mol×K | 648.03 | Joback Calculated Property |
| Cp,gas | 500.91 | J/mol×K | 680.27 | Joback Calculated Property |
| Cp,gas | 513.56 | J/mol×K | 712.52 | Joback Calculated Property |
| Cp,gas | 525.53 | J/mol×K | 744.76 | Joback Calculated Property |
| Cp,gas | 536.83 | J/mol×K | 777.01 | Joback Calculated Property |
| Cp,gas | 547.46 | J/mol×K | 809.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl isopropyl ester.
Sources
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