- InChI
- InChI=1S/C12H22O6/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,13-14H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1
- InChI Key
- ODYBCPSCYHAGHA-XKNYDFJKSA-N
- Formula
- C12H22O6
- SMILES
-
CC1(C)OCC(C(O)C(O)C2COC(C)(C)O
2)O1 - Molecular Weight1
- 262.30
- CAS
- 22323-78-0
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -6397.30 | kJ/mol | NIST |
| ΔfG° | -526.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1023.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.52 | kJ/mol | Joback Calculated Property |
| log10WS | -1.17 | Crippen Calculated Property | |
| logPoct/wat | 0.011 | Crippen Calculated Property | |
| McVol | 193.440 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Tboil | 786.94 | K | Joback Calculated Property |
| Tc | 991.90 | K | Joback Calculated Property |
| Tfus | 484.04 | K | Joback Calculated Property |
| Vc | 0.694 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.08; 745.40] | J/mol×K | [786.94; 991.90] | 
|
| Cp,gas | 650.08 | J/mol×K | 786.94 | Joback Calculated Property |
| Cp,gas | 665.63 | J/mol×K | 821.10 | Joback Calculated Property |
| Cp,gas | 681.07 | J/mol×K | 855.26 | Joback Calculated Property |
| Cp,gas | 696.60 | J/mol×K | 889.42 | Joback Calculated Property |
| Cp,gas | 712.38 | J/mol×K | 923.58 | Joback Calculated Property |
| Cp,gas | 728.58 | J/mol×K | 957.74 | Joback Calculated Property |
| Cp,gas | 745.40 | J/mol×K | 991.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-5,6-Diacetone L-mannitol.
Sources
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