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Refractive_Index:
|
1.599
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
|
Flash_Point:
|
192.4±17.8 °C
|
|
LogP:
|
3.43
|
|
Bolling_Point:
|
400.8±25.0 °C at 760 mmHg
|
|
PSA:
|
40.46000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 6816 ', '2 . Molar volume 1995 ', '3 . Parachor （902K）5197 ', '4 . Surface tension 460 ', '5 . Polarizability 2702']
|
|
Computational_Chemistry:
|
['1 . XlogP 33 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 405 ', '7 . Heavy Atom Count 17 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 209 ', '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:
|
158-159 °C(lit.)
|
|
MF:
|
C15H16O2
|
|
Exact_Mass:
|
228.115036
|
|
FW:
|
228.286
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 针晶or 片状粉末。可燃。微带苯酚气味 ', '2 相对. Density（g/mL，25/4℃）1195 ', '3 . Melting point（ºC）155~158 ', '4 . Boiling point（ºC,1733KPa）250~252 ', '5 . Flash point（ºC）794 ', '6 . Solubility Soluble in 甲醇 Ethanol 异丙醇丁醇乙酸丙酮二 Ethyl ether ，难Soluble in Water 。']
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