|
Refractive_Index:
|
1.540
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
124.8±29.0 °C
|
|
LogP:
|
0.78
|
|
Bolling_Point:
|
267.1±20.0 °C at 760 mmHg
|
|
Water_Solubility:
|
7 g/L (20 ºC)
|
|
PSA:
|
44.48000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4384 ', '2 . Molar volume （m3/mol）1397 ', '3 . Parachor （902K）3464 ', '4 . Surface tension 378 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）1738']
|
|
Computational_Chemistry:
|
['1 . XlogP 12 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 445 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 119 ', '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:
|
33-36 °C(lit.)
|
|
MF:
|
C8H11NO2
|
|
Exact_Mass:
|
153.078979
|
|
FW:
|
153.178
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 棕色Solid ', '2 . Density（g/mLat 20°C）1075 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）32-37 ', '5 . Boiling point（ºC,Atmospheric pressure）75-80 ', '6 . Boiling point（ºC,729mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）>110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,211ºC）0008 ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）505 ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 能Soluble in Water ']
|
