|
FW:
|
211.128
|
|
MF:
|
C8H5NO6
|
|
Refractive_Index:
|
1.660
|
|
Vapor_Pressure:
|
0.0±1.2 mmHg at 25°C
|
|
Bolling_Point:
|
459.5±40.0 °C at 760 mmHg
|
|
Exact_Mass:
|
211.011688
|
|
PSA:
|
120.42000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 120 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :296 ', '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']
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4665 ', '2 . Molar volume （m3/mol）1263 ', '3 . Parachor （902K）3870 ', '4 . Surface tension 880 ', '5 . Polarizability （10 -24cm 3）1849']
|
|
LogP:
|
1.00
|
|
Melting_Point:
|
159-161 °C(lit.)
|
|
Flash_Point:
|
207.6±15.8 °C
|
|
Density:
|
1.7±0.1 g/cm3
|
|
More_Info:
|
['物性数据 1 . Appearance 淡色色针状结晶 ', '2 . Density（g/mL ,25/4℃）1671 ', '3 . Refractive index（nD20）166 ', '4 . Flash point（ºC）2076 ', '5 . Melting point（℃）159-161 ', '6 . Boiling point（ºC）4595 ', '7 . Solubility Soluble in Water 醇，Insoluble in 氯仿四氯化碳二硫化碳苯']
|
