Refractive_Index:
|
1.574
|
Vapor_Pressure:
|
0.1±0.4 mmHg at 25°C
|
Flash_Point:
|
114.0±9.0 °C
|
LogP:
|
1.08
|
Bolling_Point:
|
227.4±20.0 °C at 760 mmHg
|
Water_Solubility:
|
SOLUBLE
|
PSA:
|
38.91000
|
Molecular_Structure:
|
['1 . Molar refractive index 3340 ', '2 . Molar volume 1012 ', '3 . Parachor (902K)2649 ', '4 . Surface tension 469 ', '5 . Dielectric constant ', '6 偶极距(10-24cm3) ', '7 . Polarizability 1324']
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 389 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :729 ', '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:
|
96-99 °C(lit.)
|
MF:
|
C6H8N2
|
Exact_Mass:
|
108.068748
|
FW:
|
108.141
|
Density:
|
1.1±0.1 g/cm3
|
More_Info:
|
['1 . Appearance 叶状结晶。缓慢加热能升华。 ', '2 . Density(g/mL,25/4℃) Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)96-99 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,1466kPa)115-117 ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)118 ', '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 Soluble in Water and 低碳醇and 二甲基甲酰胺,微Soluble in 石油醚and 脂肪族碳氢化合物。']
|