- InChI
- InChI=1S/C12H20O4/c1-3-5-6-7-10-16-12(14)9-8-11(13)15-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+
- InChI Key
- WKZZFRSJSZINKQ-AATRIKPKSA-N
- Formula
- C12H20O4
- SMILES
- CCC=CCCOC(=O)CCC(=O)OCC
- Molecular Weight1
- 228.28
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.6526 | Relay (1.0) Calculated Property | |
| ΔfG° | -490.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -839.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 190.520 | ml/mol | McGowan Calculated Property |
| Pc | 1877.28 | kPa | Joback Calculated Property |
| Inp | 1550.00 | NIST | |
| Tboil | 533.07 | K | Relay (1.0) Calculated Property |
| Tc | 705.72 | K | Relay (1.0) Calculated Property |
| Tfus | 225.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.715 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.05; 560.80] | J/mol×K | [594.76; 773.53] | 
|
| Cp,gas | 484.05 | J/mol×K | 594.76 | Joback Calculated Property |
| Cp,gas | 498.59 | J/mol×K | 624.56 | Joback Calculated Property |
| Cp,gas | 512.42 | J/mol×K | 654.35 | Joback Calculated Property |
| Cp,gas | 525.55 | J/mol×K | 684.15 | Joback Calculated Property |
| Cp,gas | 537.98 | J/mol×K | 713.94 | Joback Calculated Property |
| Cp,gas | 549.72 | J/mol×K | 743.74 | Joback Calculated Property |
| Cp,gas | 560.80 | J/mol×K | 773.53 | Joback Calculated Property |
| η | [0.0001087; 0.0036635] | Pa×s | [304.58; 594.76] |
|
| η | 0.0036635 | Pa×s | 304.58 | Joback Calculated Property |
| η | 0.0013640 | Pa×s | 352.94 | Joback Calculated Property |
| η | 0.0006444 | Pa×s | 401.31 | Joback Calculated Property |
| η | 0.0003577 | Pa×s | 449.67 | Joback Calculated Property |
| η | 0.0002226 | Pa×s | 498.03 | Joback Calculated Property |
| η | 0.0001507 | Pa×s | 546.40 | Joback Calculated Property |
| η | 0.0001087 | Pa×s | 594.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, ethyl trans-hex-3-enyl ester.
Sources
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