|
MF:
|
C5H6N2
|
|
Bolling_Point:
|
226.9±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
94.053101
|
|
More_Info:
|
['1 . Appearance 浅Yellow or 橙色Liquid 。 ', '2 . Density（g/mL,20℃）106 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,11mmHg）98-100 ', '7 . Refractive index(n20/D)1521 ', '8 . Flash point（ºC）105 ', '9 . Specific rotation（º）Unknow 10 . Spontaneous ignition point or ignition temperature（ ºC ）105 11 . Vapor pressure（ psi,20ºC ） 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 完全可拌and ']
|
|
PSA:
|
25.78000
|
|
Flash_Point:
|
105.6±0.0 °C
|
|
Refractive_Index:
|
1.503
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2726 ', '2 . Molar volume （m3/mol）921 ', '3 . Parachor （902K）2332 ', '4 . Surface tension 410 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1080']
|
|
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 258 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :54 ', '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']
|
|
FW:
|
94.115
|
|
LogP:
|
-0.31
|
|
Vapor_Pressure:
|
0.1±0.4 mmHg at 25°C
|
