- InChI
- InChI=1S/C12H20O4/c1-3-5-6-10-16-12(14)9-7-8-11(13)15-4-2/h3H,1,4-10H2,2H3
- InChI Key
- VAGFUPRFVODBFJ-UHFFFAOYSA-N
- Formula
- C12H20O4
- SMILES
- C=CCCCOC(=O)CCCC(=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 | 0.7022 | Relay (1.0) Calculated Property | |
| ΔfG° | -329.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -812.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 190.520 | ml/mol | McGowan Calculated Property |
| Pc | 2000.12 | kPa | Joback Calculated Property |
| Inp | [1587.00; 1587.00] |
|
|
| Inp | 1587.00 | NIST | |
| Inp | 1587.00 | NIST | |
| Tboil | 549.27 | K | Relay (1.0) Calculated Property |
| Tc | 710.47 | K | Relay (1.0) Calculated Property |
| Tfus | 239.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.712 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.13; 568.70] | J/mol×K | [623.22; 803.24] |
|
| Cp,gas | 494.13 | J/mol×K | 623.22 | Joback Calculated Property |
| Cp,gas | 508.13 | J/mol×K | 653.22 | Joback Calculated Property |
| Cp,gas | 521.49 | J/mol×K | 683.23 | Joback Calculated Property |
| Cp,gas | 534.23 | J/mol×K | 713.23 | Joback Calculated Property |
| Cp,gas | 546.34 | J/mol×K | 743.23 | Joback Calculated Property |
| Cp,gas | 557.83 | J/mol×K | 773.24 | Joback Calculated Property |
| Cp,gas | 568.70 | J/mol×K | 803.24 | Joback Calculated Property |
| η | [0.0001588; 0.0016765] | Pa×s | [367.56; 623.22] |
|
| η | 0.0016765 | Pa×s | 367.56 | Joback Calculated Property |
| η | 0.0009230 | Pa×s | 410.17 | Joback Calculated Property |
| η | 0.0005686 | Pa×s | 452.78 | Joback Calculated Property |
| η | 0.0003807 | Pa×s | 495.39 | Joback Calculated Property |
| η | 0.0002716 | Pa×s | 538.00 | Joback Calculated Property |
| η | 0.0002036 | Pa×s | 580.61 | Joback Calculated Property |
| η | 0.0001588 | Pa×s | 623.22 | Joback Calculated Property |
Similar Compounds
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Sources
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