- InChI
- InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-
- InChI Key
- CDAISMWEOUEBRE-CDRYSYESSA-N
- Formula
- C6H12O6
- SMILES
- OC1C(O)C(O)C(O)C(O)C1O
- Molecular Weight1
- 180.16
- CAS
- 488-59-5
- Other Names
-
- Inositol, scyllo-
- Cocositol
- Quercinitol
- Scyllitol
- AZD103
- 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° | -835.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1127.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.91 | kJ/mol | Joback Calculated Property |
| log10WS | 1.52 | Crippen Calculated Property | |
| logPoct/wat | -3.835 | Crippen Calculated Property | |
| McVol | 119.760 | ml/mol | McGowan Calculated Property |
| Pc | 6921.35 | kPa | Joback Calculated Property |
| Inp | [2085.00; 2085.00] |
|
|
| Inp | 2085.00 | NIST | |
| Inp | 2085.00 | NIST | |
| Tboil | 885.96 | K | Joback Calculated Property |
| Tc | 1086.32 | K | Joback Calculated Property |
| Tfus | 508.48 | K | Joback Calculated Property |
| Vc | 0.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.69; 469.97] | J/mol×K | [885.96; 1086.32] |
|
| Cp,gas | 437.69 | J/mol×K | 885.96 | Joback Calculated Property |
| Cp,gas | 444.88 | J/mol×K | 919.35 | Joback Calculated Property |
| Cp,gas | 451.35 | J/mol×K | 952.75 | Joback Calculated Property |
| Cp,gas | 457.10 | J/mol×K | 986.14 | Joback Calculated Property |
| Cp,gas | 462.12 | J/mol×K | 1019.53 | Joback Calculated Property |
| Cp,gas | 466.41 | J/mol×K | 1052.93 | Joback Calculated Property |
| Cp,gas | 469.97 | J/mol×K | 1086.32 | Joback Calculated Property |
| η | [2.5924234e-08; 0.0001206] | Pa×s | [508.48; 885.96] |
|
| η | 0.0001206 | Pa×s | 508.48 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 571.39 | Joback Calculated Property |
| η | 0.0000024 | Pa×s | 634.31 | Joback Calculated Property |
| η | 0.0000006 | Pa×s | 697.22 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 760.13 | Joback Calculated Property |
| η | 6.1853059e-08 | Pa×s | 823.05 | Joback Calculated Property |
| η | 2.5924234e-08 | Pa×s | 885.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Scyllo-Inositol.
Sources
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