- InChI
- InChI=1S/C12H22O4/c1-5-15-11(13)7-6-8-12(14)16-10(4)9(2)3/h9-10H,5-8H2,1-4H3
- InChI Key
- QDPMOQWJDAVKAG-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCOC(=O)CCCC(=O)OC(C)C(C)C
- Molecular Weight1
- 230.30
- 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° | -422.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -791.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.84 | kJ/mol | Joback Calculated Property |
| log10WS | -2.44 | Crippen Calculated Property | |
| logPoct/wat | 2.308 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1954.41 | kPa | Joback Calculated Property |
| Inp | [1511.00; 1511.00] |
|
|
| Inp | 1511.00 | NIST | |
| Inp | 1511.00 | NIST | |
| Tboil | 625.66 | K | Joback Calculated Property |
| Tc | 808.87 | K | Joback Calculated Property |
| Tfus | 339.32 | K | Joback Calculated Property |
| Vc | 0.744 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.81; 597.13] | J/mol×K | [625.66; 808.87] |
|
| Cp,gas | 516.81 | J/mol×K | 625.66 | Joback Calculated Property |
| Cp,gas | 531.92 | J/mol×K | 656.19 | Joback Calculated Property |
| Cp,gas | 546.34 | J/mol×K | 686.73 | Joback Calculated Property |
| Cp,gas | 560.07 | J/mol×K | 717.26 | Joback Calculated Property |
| Cp,gas | 573.11 | J/mol×K | 747.80 | Joback Calculated Property |
| Cp,gas | 585.47 | J/mol×K | 778.33 | Joback Calculated Property |
| Cp,gas | 597.13 | J/mol×K | 808.87 | Joback Calculated Property |
| η | [0.0001321; 0.0027555] | Pa×s | [339.32; 625.66] |
|
| η | 0.0027555 | Pa×s | 339.32 | Joback Calculated Property |
| η | 0.0012154 | Pa×s | 387.04 | Joback Calculated Property |
| η | 0.0006416 | Pa×s | 434.77 | Joback Calculated Property |
| η | 0.0003843 | Pa×s | 482.49 | Joback Calculated Property |
| η | 0.0002525 | Pa×s | 530.21 | Joback Calculated Property |
| η | 0.0001778 | Pa×s | 577.94 | Joback Calculated Property |
| η | 0.0001321 | Pa×s | 625.66 | Joback Calculated Property |
Similar Compounds
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Sources
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