|
Refractive_Index:
|
1.540
|
|
Vapor_Pressure:
|
0.4±0.4 mmHg at 25°C
|
|
Flash_Point:
|
82.7±5.0 °C
|
|
LogP:
|
0.41
|
|
Bolling_Point:
|
196.3±13.0 °C at 760 mmHg
|
|
Water_Solubility:
|
3.2 g/100ml (16.4 ºC)
|
|
PSA:
|
36.68000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2911 ', '2 . Molar volume 928 ', '3 . Parachor （902K）2485 ', '4 . Surface tension 514 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1154']
|
|
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 367 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :105 ', '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:
|
76-79 °C(lit.)
|
|
MF:
|
C6H4N2
|
|
Exact_Mass:
|
104.037445
|
|
FW:
|
104.109
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White to 淡Yellow 针状晶体，具特征性气味。 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）88 ', '5 . Boiling point（ºC,Atmospheric pressure）196 ', '6 . Boiling point（ºC, 07mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）77-81 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg, ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 Soluble in Ethanol Ethyl ether and 苯。']
|
