|
Refractive_Index:
|
1.668
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
114.0±22.6 °C
|
|
LogP:
|
2.83
|
|
Bolling_Point:
|
264.8±23.0 °C at 760 mmHg
|
|
PSA:
|
17.07000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4591 ', '2 . Molar volume （m3/mol）1231 ', '3 . Parachor （902K）3279 ', '4 . Surface tension 502 ', '5 . Polarizability 1820 ', '6 性状: 黄色结晶 ', '7 熔点 77℃。']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 171 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :951 ', '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']
|
|
Melting_Point:
|
78-82 °C(lit.)
|
|
MF:
|
C7H5IO
|
|
Exact_Mass:
|
231.938507
|
|
FW:
|
232.018
|
|
Density:
|
1.9±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance Yellow 结晶 ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）78-82 ', '5. Boiling point（ºC,Atmospheric pressure）Unknow ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexUnknow ', '8. Flash point（ºC）Unknow ', '9. Specific rotation（º）Unknow ', '10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（kPa,25ºC）Unknow ', '12. Saturated vapor pressure（kPa,60ºC）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']
|
