|
MF:
|
C8H9NO2
|
|
Water_Solubility:
|
14 g/L (20 ºC)
|
|
Bolling_Point:
|
387.8±25.0 °C at 760 mmHg
|
|
Exact_Mass:
|
151.063324
|
|
More_Info:
|
['1 . Appearance Colourless 单斜方棱形式结晶。无臭。味苦。 ', '2 . Density（g/mL,25/4℃） 1293 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）169-170 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）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（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 甲醇 Ethanol 二氯乙烯丙酮and 乙酸乙酯，微Soluble in Ethyl ether and 热Water ，几乎Insoluble in 冷Water ，Insoluble in 石油醚戊烷and 苯。']
|
|
Melting_Point:
|
168-172 °C(lit.)
|
|
PSA:
|
49.33000
|
|
Flash_Point:
|
188.4±23.2 °C
|
|
Refractive_Index:
|
1.619
|
|
Density:
|
1.3±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4240 ', '2 . Molar volume 1209 ', '3 . Parachor （902K）3260 ', '4 . Surface tension 528 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1681']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :6 ', '6. TPSA 493 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :139 ', '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:
|
151.163
|
|
LogP:
|
0.34
|
|
Vapor_Pressure:
|
0.0±0.9 mmHg at 25°C
|
