- InChI
- InChI=1S/C12H20O4/c1-4-15-11(13)6-5-7-12(14)16-9-8-10(2)3/h8H,4-7,9H2,1-3H3
- InChI Key
- BYLBJXDKXMMJOF-UHFFFAOYSA-N
- Formula
- C12H20O4
- SMILES
- CCOC(=O)CCCC(=O)OCC=C(C)C
- 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 | 0.6559 | Relay (1.0) Calculated Property | |
| ΔfG° | -498.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -826.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 190.520 | ml/mol | McGowan Calculated Property |
| Pc | 1885.44 | kPa | Joback Calculated Property |
| Inp | [1601.00; 1601.00] |
|
|
| Inp | 1601.00 | NIST | |
| Inp | 1601.00 | NIST | |
| Tboil | 542.74 | K | Relay (1.0) Calculated Property |
| Tc | 708.33 | K | Relay (1.0) Calculated Property |
| Tfus | 253.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.713 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.87; 623.78] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.89250e+01 | |||
| Coefficient B | 1.05416e+00 | |||
| Coefficient C | -5.25900e-04 | |||
| Coefficient D | 6.66000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 278.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 338.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 393.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 441.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 484.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 522.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 554.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 582.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 605.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 623.78 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl 3-methylbut-2-enyl ester.
Sources
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