|
MF:
|
C20H28O2
|
|
Bolling_Point:
|
448.3±45.0 °C at 760 mmHg
|
|
Exact_Mass:
|
300.208923
|
|
More_Info:
|
['1 . Appearance 类White or 乳White 结晶性粉末，无臭，无味。 ', '2 . Density（g/cm3,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）169 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,8mm）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 Insoluble in Water ，易Soluble in Ethanol 丙酮氯仿']
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|
Melting_Point:
|
169 °C
|
|
PSA:
|
37.30000
|
|
Flash_Point:
|
191.0±21.3 °C
|
|
Computational_Chemistry:
|
['1 . XlogP 28 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 5 ', '6 . TPSA 373 ', '7 . Heavy Atom Count 22 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 601 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 5 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 8747 ', '2 . Molar volume （m3/mol）2655 ', '3 . Parachor （902K）6879 ', '4 . Surface tension 4501 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 3467']
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|
Vapor_Pressure:
|
0.0±2.5 mmHg at 25°C
|
|
FW:
|
300.435
|
|
LogP:
|
3.64
|
|
Refractive_Index:
|
1.573
|
