|
Molecular_Structure:
|
['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 79937776 Da ', '8. Nominal mass 80 Da ', '9. Average mass 798658 Da']
|
|
More_Info:
|
['一物性数据 ', '1 . Appearance White 无定形粉末(高温下变成棕色），无臭无味。 ', '2 . Density（g/mL,25/4℃）384 ', '3 . Relative vapor density（g/mL,Atmosphere =1）426 ', '4 . Melting point（ºC）1857 ', '5 . Boiling point（ºC,067kpaor 5 mmHg）2900 ', '6 . Refractive index252 ', '7 . Flash point（ºC）不确定 ', '8 . Specific rotation（ºC）不确定 ', '9 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '10 . Vapor pressure（kPa,25ºC）不确定 ', '11 . Saturated vapor pressure（kPa,60ºC）不确定 ', '12 . Combustion heat（KJ/mol）不确定 ', '13 . Critical temperature（ºC）不确定 ', '14 . Critical pressure（KPa）不确定 ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '16 . Upper limit of explosion（%,V/V）不确定 ', '17 . Lower limit of explosion（%,V/V）不确定 ', '18 . Solubility 缓慢Soluble in 氢氟酸and 浓硫酸，Insoluble in Water 盐酸稀硫酸and Ethanol 等有机溶剂。 ', '19 相对. Density（20ºC/4 ºC）426（R型） ', '20 . Melting point（ºC）1830-1850（R型） ', '21 . Refractive index272（R型）']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 341 ', '7. Heavy Atom Count :3 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :183 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
