- InChI
- InChI=1S/C12H20O4/c1-4-15-11(13)6-5-7-12(14)16-9-8-10(2)3/h2,4-9H2,1,3H3
- InChI Key
- HWRHBZZGCQLVET-UHFFFAOYSA-N
- Formula
- C12H20O4
- SMILES
- C=C(C)CCOC(=O)CCCC(=O)OCC
- Molecular Weight1
- 228.29
- 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 | 0.6963 | Relay (1.0) Calculated Property | |
| ΔfG° | -491.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -824.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 190.520 | ml/mol | McGowan Calculated Property |
| Pc | 1869.17 | kPa | Joback Calculated Property |
| Inp | 1572.00 | NIST | |
| Tboil | 542.98 | K | Relay (1.0) Calculated Property |
| Tc | 705.80 | K | Relay (1.0) Calculated Property |
| Tfus | 243.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.719 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.68; 560.14] | J/mol×K | [587.16; 764.87] | 
|
| Cp,gas | 482.68 | J/mol×K | 587.16 | Joback Calculated Property |
| Cp,gas | 497.31 | J/mol×K | 616.78 | Joback Calculated Property |
| Cp,gas | 511.25 | J/mol×K | 646.40 | Joback Calculated Property |
| Cp,gas | 524.49 | J/mol×K | 676.02 | Joback Calculated Property |
| Cp,gas | 537.06 | J/mol×K | 705.64 | Joback Calculated Property |
| Cp,gas | 548.94 | J/mol×K | 735.26 | Joback Calculated Property |
| Cp,gas | 560.14 | J/mol×K | 764.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl 3-methylbut-3-enyl ester.
Sources
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