|
FW:
|
342.297
|
|
MF:
|
C12H22O11
|
|
Refractive_Index:
|
1.652
|
|
Vapor_Pressure:
|
0.0±4.6 mmHg at 25°C
|
|
Bolling_Point:
|
662.8±55.0 °C at 760 mmHg
|
|
Exact_Mass:
|
342.116211
|
|
PSA:
|
197.37000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :9 ', '3. Hydrogen Bond Acceptor Count :12 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 191 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :382 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :10 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
|
|
Molecular_Structure:
|
['分子性质数据 ', '1 . Molar refractive index 7080 ', '2 . Molar volume （m3/mol）1936 ', '3 . Parachor （902K）6283 ', '4 . Surface tension 1108 ', '5 . Polarizability 2806']
|
|
LogP:
|
-3.20
|
|
Melting_Point:
|
182ºC (dec.)(lit.)
|
|
Flash_Point:
|
354.6±31.5 °C
|
|
Density:
|
1.8±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1 . Melting point（℃）182 ', '2 旋光度（º, C=4, Water ）+1117→1295 ', '3 . Solubility 每克Soluble in 04mlWater 85ml甲醇or 220ml无Water Ethanol ']
|
