Molecular_Structure:
|
['1. Molar refractive index 6411 ', '2. Molar volume 2294 ', '3. Parachor (902K)5774 ', '4. Surface tension 401 ', '5. Dielectric constant N/A ', '6. Polarizability 2541 ', '7. Single isotope mass 262141638 Da ', '8. Nominal mass 262 Da ', '9. Average mass 2622995 Da']
|
Flash_Point:
|
109.2±12.2 °C
|
Refractive_Index:
|
1.471
|
FW:
|
262.299
|
Density:
|
1.1±0.1 g/cm3
|
Bolling_Point:
|
321.8±9.0 °C at 760 mmHg
|
Computational_Chemistry:
|
['1 . XlogP 09 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count ', '6 . TPSA 931 ', '7 . Heavy Atom Count 18 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 278 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 2 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
LogP:
|
1.10
|
Melting_Point:
|
90-92ºC(lit.)
|
PSA:
|
93.06000
|
MF:
|
C12H22O6
|
More_Info:
|
['1 . Appearance 晶体 ', '2 . Density(g/mL,25ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)90-92 ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,05mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(°F)Unknow ', '9 . Specific rotation(ºF)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,110ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Unknow']
|
Vapor_Pressure:
|
0.0±1.6 mmHg at 25°C
|
Exact_Mass:
|
262.141632
|