Refractive_Index:
|
1.651
|
Vapor_Pressure:
|
0.0±1.4 mmHg at 25°C
|
Flash_Point:
|
261.6±25.9 °C
|
LogP:
|
-1.80
|
Bolling_Point:
|
508.9±35.0 °C at 760 mmHg
|
PSA:
|
59.14000
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 3046 ', '2 . Molar volume (m3/mol)833 ', '3 . Parachor (902K)2422 ', '4 . Surface tension 713 ', '5 . Polarizability 1207']
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Computational_Chemistry:
|
['1. XlogP :-03 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :7 ', '6. TPSA 551 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :169 ', '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:
|
145-149°C
|
MF:
|
C5H6N2O
|
Exact_Mass:
|
110.048012
|
FW:
|
110.114
|
Density:
|
1.3±0.1 g/cm3
|
More_Info:
|
['1 . Appearance Yellow 晶体状粉末 ', '2 . Density(g/mL, 25 ℃ )Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)145-149 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,3mmHg)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(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 Unknow']
|