- InChI
- InChI=1S/C12H22O6/c1-7(15-5)9(3)17-11(13)12(14)18-10(4)8(2)16-6/h7-10H,1-6H3
- InChI Key
- WOHVUTCPBIZWDN-UHFFFAOYSA-N
- Formula
- C12H22O6
- SMILES
-
COC(C)C(C)OC(=O)C(=O)OC(C)C(C)
OC - Molecular Weight1
- 262.30
- 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 | 0.6993 | Relay (... Calculated Property | |
| ΔfG° | -637.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1147.85 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.63 | kJ/mol | Relay (... Calculated Property |
| IE | 9.16 | eV | Relay (... Calculated Property |
| log10WS | -0.89 | Relay (... Calculated Property | |
| logPoct/wat | 0.920 | Crippen Calculated Property | |
| McVol | 206.560 | ml/mol | McGowan Calculated Property |
| Pc | 1923.67 | kPa | Joback Calculated Property |
| Inp | [1375.00; 1375.00] |
|
|
| Inp | 1375.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Tboil | 547.27 | K | Relay (... Calculated Property |
| Tc | 686.37 | K | Relay (... Calculated Property |
| Tfus | 296.22 | K | Relay (... Calculated Property |
| Vc | 0.773 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.73; 652.43] | J/mol×K | [669.62; 857.34] |
|
| Cp,gas | 572.73 | J/mol×K | 669.62 | Joback Calculated Property |
| Cp,gas | 587.97 | J/mol×K | 700.91 | Joback Calculated Property |
| Cp,gas | 602.46 | J/mol×K | 732.19 | Joback Calculated Property |
| Cp,gas | 616.17 | J/mol×K | 763.48 | Joback Calculated Property |
| Cp,gas | 629.08 | J/mol×K | 794.76 | Joback Calculated Property |
| Cp,gas | 641.17 | J/mol×K | 826.05 | Joback Calculated Property |
| Cp,gas | 652.43 | J/mol×K | 857.34 | Joback Calculated Property |
| η | [0.0000677; 0.0020884] | Pa×s | [353.78; 669.62] |
|
| η | 0.0020884 | Pa×s | 353.78 | Joback Calculated Property |
| η | 0.0008143 | Pa×s | 406.42 | Joback Calculated Property |
| η | 0.0003941 | Pa×s | 459.06 | Joback Calculated Property |
| η | 0.0002214 | Pa×s | 511.70 | Joback Calculated Property |
| η | 0.0001385 | Pa×s | 564.34 | Joback Calculated Property |
| η | 0.0000939 | Pa×s | 616.98 | Joback Calculated Property |
| η | 0.0000677 | Pa×s | 669.62 | Joback Calculated Property |
Similar Compounds
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Sources
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