- InChI
- InChI=1S/C13H22O4/c1-10(2)7-8-16-12(14)5-6-13(15)17-9-11(3)4/h11H,1,5-9H2,2-4H3
- InChI Key
- WXWCOSOHWCHPTP-UHFFFAOYSA-N
- Formula
- C13H22O4
- SMILES
- C=C(C)CCOC(=O)CCC(=O)OCC(C)C
- 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 | 0.7090 | Relay (... Calculated Property | |
| ΔfG° | -332.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -847.44 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.07 | kJ/mol | Relay (... Calculated Property |
| IE | 9.30 | eV | Relay (... Calculated Property |
| log10WS | -2.79 | Relay (... Calculated Property | |
| logPoct/wat | 2.475 | Crippen Calculated Property | |
| McVol | 204.610 | ml/mol | McGowan Calculated Property |
| Pc | 1859.51 | kPa | Joback Calculated Property |
| Inp | 1582.00 | NIST | |
| Tboil | 548.51 | K | Relay (... Calculated Property |
| Tc | 704.44 | K | Relay (... Calculated Property |
| Tfus | 244.14 | K | Relay (... Calculated Property |
| Vc | 0.763 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.01; 625.44] | J/mol×K | [645.54; 829.62] | 
|
| Cp,gas | 546.01 | J/mol×K | 645.54 | Joback Calculated Property |
| Cp,gas | 561.03 | J/mol×K | 676.22 | Joback Calculated Property |
| Cp,gas | 575.32 | J/mol×K | 706.90 | Joback Calculated Property |
| Cp,gas | 588.91 | J/mol×K | 737.58 | Joback Calculated Property |
| Cp,gas | 601.79 | J/mol×K | 768.26 | Joback Calculated Property |
| Cp,gas | 613.96 | J/mol×K | 798.94 | Joback Calculated Property |
| Cp,gas | 625.44 | J/mol×K | 829.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, isobutyl 3-methylbut-3-enyl ester.
Sources
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