- InChI
- InChI=1S/C12H22O7/c1-7(13)18-12-11(17-5)10(16-4)9(15-3)8(19-12)6-14-2/h8-12H,6H2,1-5H3/t8?,9-,10?,11?,12+/m0/s1
- InChI Key
- XMEWOWGGNTUINQ-AYQOGSFCSA-N
- Formula
- C12H22O7
- SMILES
- COCC1OC(OC(C)=O)C(OC)C(OC)C1OC
- Molecular Weight1
- 278.30
- 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° | -696.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1223.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.80 | kJ/mol | Joback Calculated Property |
| log10WS | -0.09 | Crippen Calculated Property | |
| logPoct/wat | -0.034 | Crippen Calculated Property | |
| McVol | 205.870 | ml/mol | McGowan Calculated Property |
| Pc | 1845.16 | kPa | Joback Calculated Property |
| Inp | [1396.00; 1418.00] |
|
|
| Inp | 1417.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Inp | 1418.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Inp | 1417.00 | NIST | |
| Tboil | 667.75 | K | Joback Calculated Property |
| Tc | 859.74 | K | Joback Calculated Property |
| Tfus | 403.07 | K | Joback Calculated Property |
| Vc | 0.753 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [611.02; 707.26] | J/mol×K | [667.75; 859.74] |
|
| Cp,gas | 611.02 | J/mol×K | 667.75 | Joback Calculated Property |
| Cp,gas | 629.55 | J/mol×K | 699.75 | Joback Calculated Property |
| Cp,gas | 647.16 | J/mol×K | 731.75 | Joback Calculated Property |
| Cp,gas | 663.78 | J/mol×K | 763.75 | Joback Calculated Property |
| Cp,gas | 679.38 | J/mol×K | 795.74 | Joback Calculated Property |
| Cp,gas | 693.88 | J/mol×K | 827.74 | Joback Calculated Property |
| Cp,gas | 707.26 | J/mol×K | 859.74 | Joback Calculated Property |
| η | [0.0001415; 0.0007221] | Pa×s | [403.07; 667.75] |
|
| η | 0.0007221 | Pa×s | 403.07 | Joback Calculated Property |
| η | 0.0004813 | Pa×s | 447.18 | Joback Calculated Property |
| η | 0.0003451 | Pa×s | 491.30 | Joback Calculated Property |
| η | 0.0002613 | Pa×s | 535.41 | Joback Calculated Property |
| η | 0.0002065 | Pa×s | 579.52 | Joback Calculated Property |
| η | 0.0001686 | Pa×s | 623.64 | Joback Calculated Property |
| η | 0.0001415 | Pa×s | 667.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4,6-Tetramethyl-1-acetylglucoside (A).
Sources
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