- InChI
- InChI=1S/C12H22O6/c1-5-9(15-3)7-17-11(13)12(14)18-8-10(6-2)16-4/h9-10H,5-8H2,1-4H3
- InChI Key
- GPABTUKRFXERRO-UHFFFAOYSA-N
- Formula
- C12H22O6
- SMILES
- CCC(COC(=O)C(=O)OCC(CC)OC)OC
- Molecular Weight1
- 262.30
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1107.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.923 | Crippen Calculated Property | |
| McVol | 206.560 | ml/mol | McGowan Calculated Property |
| Pc | 1768.38 | kPa | Joback Calculated Property |
| Inp | 1327.00 | NIST | |
| Tboil | 570.03 | K | Relay (1.0) Calculated Property |
| Tc | 707.26 | K | Relay (1.0) Calculated Property |
| Tfus | 240.12 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.93; 639.48] | J/mol×K | [634.56; 811.98] | 
|
| Cp,gas | 559.93 | J/mol×K | 634.56 | Joback Calculated Property |
| Cp,gas | 575.03 | J/mol×K | 664.13 | Joback Calculated Property |
| Cp,gas | 589.41 | J/mol×K | 693.70 | Joback Calculated Property |
| Cp,gas | 603.06 | J/mol×K | 723.27 | Joback Calculated Property |
| Cp,gas | 615.97 | J/mol×K | 752.84 | Joback Calculated Property |
| Cp,gas | 628.11 | J/mol×K | 782.41 | Joback Calculated Property |
| Cp,gas | 639.48 | J/mol×K | 811.98 | Joback Calculated Property |
| η | [0.0000656; 0.0030304] | Pa×s | [324.12; 634.56] |
|
| η | 0.0030304 | Pa×s | 324.12 | Joback Calculated Property |
| η | 0.0010305 | Pa×s | 375.86 | Joback Calculated Property |
| η | 0.0004550 | Pa×s | 427.60 | Joback Calculated Property |
| η | 0.0002396 | Pa×s | 479.34 | Joback Calculated Property |
| η | 0.0001430 | Pa×s | 531.08 | Joback Calculated Property |
| η | 0.0000935 | Pa×s | 582.82 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 634.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to di-(2-Methoxybutyl)oxalate.
Sources
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