|
Bolling_Point:
|
241.6±23.0 °C at 760 mmHg
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
LogP:
|
1.63
|
|
More_Info:
|
['1 . Appearance White 结晶。 ', '2 . Density（g/cm3,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）12 ', '4 . Melting point（ºC）74～77 ', '5 . Boiling point（ºC,Atmospheric pressure）180 ', '6 . Boiling point（ºC,12mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）145 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow 11 . Vapor pressure（kpa,20ºC）368 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 难Soluble in Water ，稍Soluble in Ethyl ether 苯，易Soluble in 甲醇 Ethanol ']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :2 ', '6. TPSA 383 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :159 ', '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']
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|
Melting_Point:
|
74-77 °C
|
|
Exact_Mass:
|
165.078979
|
|
MF:
|
C9H11NO2
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Refractive_Index:
|
1.517
|
|
PSA:
|
38.33000
|
|
Flash_Point:
|
99.9±22.6 °C
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4601 ', '2 . Molar volume 1521 ', '3 . Parachor （902K）366 ', '4 . Surface tension : 366 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1824']
|
|
FW:
|
165.189
|
