- InChI
- InChI=1S/C13H22O4/c1-4-16-12(14)7-5-6-8-13(15)17-10-9-11(2)3/h2,4-10H2,1,3H3
- InChI Key
- CUAAYQHVUNRARX-UHFFFAOYSA-N
- Formula
- C13H22O4
- SMILES
- C=C(C)CCOC(=O)CCCCC(=O)OCC
- Molecular Weight1
- 242.31
- 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 | 0.7364 | Relay (1.0) Calculated Property | |
| ΔfG° | -329.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -844.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.619 | Crippen Calculated Property | |
| McVol | 204.610 | ml/mol | McGowan Calculated Property |
| Pc | 1846.75 | kPa | Joback Calculated Property |
| Inp | [1647.00; 1647.00] |
|
|
| Inp | 1647.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Tboil | 553.13 | K | Relay (1.0) Calculated Property |
| Tc | 711.25 | K | Relay (1.0) Calculated Property |
| Tfus | 248.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.769 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.56; 623.82] | J/mol×K | [645.98; 827.19] |
|
| Cp,gas | 545.56 | J/mol×K | 645.98 | Joback Calculated Property |
| Cp,gas | 560.30 | J/mol×K | 676.18 | Joback Calculated Property |
| Cp,gas | 574.36 | J/mol×K | 706.38 | Joback Calculated Property |
| Cp,gas | 587.74 | J/mol×K | 736.58 | Joback Calculated Property |
| Cp,gas | 600.43 | J/mol×K | 766.79 | Joback Calculated Property |
| Cp,gas | 612.46 | J/mol×K | 796.99 | Joback Calculated Property |
| Cp,gas | 623.82 | J/mol×K | 827.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, ethyl 3-methylbut-3-enyl ester.
Sources
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