- InChI
- InChI=1S/C13H24O6/c1-3-16-8-10-18-12(14)6-5-7-13(15)19-11-9-17-4-2/h3-11H2,1-2H3
- InChI Key
- PMMQYPRIEGHPSP-UHFFFAOYSA-N
- Formula
- C13H24O6
- SMILES
- CCOCCOC(=O)CCCC(=O)OCCOCC
- Molecular Weight1
- 276.33
- 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 | 0.8629 | Relay (1.0) Calculated Property | |
| ΔfG° | -619.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1182.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.316 | Crippen Calculated Property | |
| McVol | 220.650 | ml/mol | McGowan Calculated Property |
| Pc | 1724.59 | kPa | Joback Calculated Property |
| Inp | [1890.00; 1890.00] |
|
|
| Inp | 1890.00 | NIST | |
| Inp | 1890.00 | NIST | |
| Tboil | 584.26 | K | Relay (1.0) Calculated Property |
| Tc | 732.96 | K | Relay (1.0) Calculated Property |
| Tfus | 244.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.847 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [624.73; 702.70] | J/mol×K | [694.26; 871.17] |
|
| Cp,gas | 624.73 | J/mol×K | 694.26 | Joback Calculated Property |
| Cp,gas | 639.54 | J/mol×K | 723.75 | Joback Calculated Property |
| Cp,gas | 653.64 | J/mol×K | 753.23 | Joback Calculated Property |
| Cp,gas | 667.02 | J/mol×K | 782.72 | Joback Calculated Property |
| Cp,gas | 679.67 | J/mol×K | 812.20 | Joback Calculated Property |
| Cp,gas | 691.57 | J/mol×K | 841.69 | Joback Calculated Property |
| Cp,gas | 702.70 | J/mol×K | 871.17 | Joback Calculated Property |
| η | [0.0000802; 0.0007961] | Pa×s | [425.05; 694.26] |
|
| η | 0.0007961 | Pa×s | 425.05 | Joback Calculated Property |
| η | 0.0004524 | Pa×s | 469.92 | Joback Calculated Property |
| η | 0.0002838 | Pa×s | 514.79 | Joback Calculated Property |
| η | 0.0001918 | Pa×s | 559.65 | Joback Calculated Property |
| η | 0.0001374 | Pa×s | 604.52 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 649.39 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 694.26 | Joback Calculated Property |
Similar Compounds
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Sources
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