|
Refractive_Index:
|
1.563
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
112.9±19.8 °C
|
|
LogP:
|
1.43
|
|
Bolling_Point:
|
263.1±13.0 °C at 760 mmHg
|
|
Water_Solubility:
|
3 g/L (21 ºC)
|
|
PSA:
|
16.13000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4454 ', '2 . Molar volume （m3/mol）1371 ', '3 . Parachor （902K）3562 ', '4 . Surface tension 454 ', '5 . Polarizability （10 -24cm 3）1766']
|
|
Computational_Chemistry:
|
['1. XlogP :15 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 161 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :113 ', '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:
|
54-58 °C(lit.)
|
|
MF:
|
C9H12N2
|
|
Exact_Mass:
|
148.100052
|
|
FW:
|
148.205
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 结晶 2 . Density（g/mL, ,20 ℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）57 5 . Boiling point（ºC,Atmospheric pressure）132~137 6 . Boiling point（ºC 21mmHg）171-173 ', '7 . Refractive index（nD20）Unknow ', '8 . Flash point（ºC）>110 ', '9 . Specific rotation（）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa, 0ºC）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']
|
