- InChI
- InChI=1S/C12H20O4/c1-6-15-10(13)7-8-11(14)16-9(2)12(3,4)5/h7-9H,6H2,1-5H3/b8-7+
- InChI Key
- FGMPNDDYAKNOAP-BQYQJAHWSA-N
- Formula
- C12H20O4
- SMILES
- CCOC(=O)C=CC(=O)OC(C)C(C)(C)C
- Molecular Weight1
- 228.28
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -337.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -677.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.89 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 2.083 | Crippen Calculated Property | |
| McVol | 190.520 | ml/mol | McGowan Calculated Property |
| Pc | 2068.00 | kPa | Joback Calculated Property |
| Inp | 1449.00 | NIST | |
| Tboil | 627.03 | K | Joback Calculated Property |
| Tc | 823.12 | K | Joback Calculated Property |
| Tfus | 351.66 | K | Joback Calculated Property |
| Vc | 0.719 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.56; 576.34] | J/mol×K | [627.03; 823.12] | 
|
| Cp,gas | 498.56 | J/mol×K | 627.03 | Joback Calculated Property |
| Cp,gas | 513.50 | J/mol×K | 659.71 | Joback Calculated Property |
| Cp,gas | 527.61 | J/mol×K | 692.39 | Joback Calculated Property |
| Cp,gas | 540.92 | J/mol×K | 725.08 | Joback Calculated Property |
| Cp,gas | 553.47 | J/mol×K | 757.76 | Joback Calculated Property |
| Cp,gas | 565.26 | J/mol×K | 790.44 | Joback Calculated Property |
| Cp,gas | 576.34 | J/mol×K | 823.12 | Joback Calculated Property |
| η | [0.0001063; 0.0022139] | Pa×s | [351.66; 627.03] |
|
| η | 0.0022139 | Pa×s | 351.66 | Joback Calculated Property |
| η | 0.0009966 | Pa×s | 397.55 | Joback Calculated Property |
| η | 0.0005292 | Pa×s | 443.45 | Joback Calculated Property |
| η | 0.0003164 | Pa×s | 489.34 | Joback Calculated Property |
| η | 0.0002066 | Pa×s | 535.24 | Joback Calculated Property |
| η | 0.0001443 | Pa×s | 581.13 | Joback Calculated Property |
| η | 0.0001063 | Pa×s | 627.03 | Joback Calculated Property |
Similar Compounds
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Sources
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