- InChI
- InChI=1S/C12H20O6/c1-10(2)15-6-12(18-10)9-8(13)7(5-14-12)16-11(3,4)17-9/h7-9,13H,5-6H2,1-4H3
- InChI Key
- HIHGMQOBMJOZKO-UHFFFAOYSA-N
- Formula
- C12H20O6
- SMILES
-
CC1(C)OC2COC3(COC(C)(C)O3)C(O1
)C2O - Molecular Weight1
- 260.28
- CAS
- 32717-65-0
- Other Names
-
- L-Sorbose, bis-O-(1-methylethylidene)-
- Diacetone sorbose
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.5685 | Relay (1.0) Calculated Property | |
| ΔfG° | -423.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1097.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.377 | Crippen Calculated Property | |
| McVol | 182.580 | ml/mol | McGowan Calculated Property |
| Pc | 3096.73 | kPa | Joback Calculated Property |
| Inp | [1534.00; 1571.00] |
|
|
| Inp | 1571.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Tboil | 572.53 | K | Relay (1.0) Calculated Property |
| Tc | 795.55 | K | Relay (1.0) Calculated Property |
| Tfus | 395.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.795 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.64; 713.54] | J/mol×K | [724.90; 951.13] |
|
| Cp,gas | 602.64 | J/mol×K | 724.90 | Joback Calculated Property |
| Cp,gas | 620.05 | J/mol×K | 762.61 | Joback Calculated Property |
| Cp,gas | 637.43 | J/mol×K | 800.31 | Joback Calculated Property |
| Cp,gas | 655.11 | J/mol×K | 838.02 | Joback Calculated Property |
| Cp,gas | 673.46 | J/mol×K | 875.72 | Joback Calculated Property |
| Cp,gas | 692.82 | J/mol×K | 913.43 | Joback Calculated Property |
| Cp,gas | 713.54 | J/mol×K | 951.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2:4,6-Di-O-isopropylidene-L-sorbopyranose.
Sources
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