FW:
|
135.163
|
MF:
|
C8H9NO
|
Refractive_Index:
|
1.571
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
Bolling_Point:
|
294.8±13.0 °C at 760 mmHg
|
Exact_Mass:
|
135.068420
|
PSA:
|
43.09000
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :7 ', '6. TPSA 431 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :125 ', '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']
|
Molecular_Structure:
|
['1 . Molar refractive index 4051 ', '2 . Molar volume 1232 ', '3 . Parachor (902K)3182 ', '4 . Surface tension 444 ', '5 . Dielectric constant ', '6 偶极距(10-24cm3) ', '7 . Polarizability 1606']
|
LogP:
|
0.41
|
Melting_Point:
|
103-107 °C(lit.)
|
Flash_Point:
|
132.1±19.8 °C
|
Density:
|
1.1±0.1 g/cm3
|
More_Info:
|
['1 . Appearance 淡Yellow 针状结晶or 粉末。有愉快的特殊气味。见光后色变深。 ', '2 . Density(g/mL,25/4℃) Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)106 ', '5 . Boiling point(ºC,Atmospheric pressure)293-295 ', '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 易Soluble in 热Water ,Soluble in Ethanol and Ethyl ether 及盐酸,微Soluble in 冷Water and 苯。']
|