|
Refractive_Index:
|
1.563
|
|
Vapor_Pressure:
|
0.0±3.7 mmHg at 25°C
|
|
Flash_Point:
|
323.7±26.6 °C
|
|
LogP:
|
6.57
|
|
Bolling_Point:
|
588.3±50.0 °C at 760 mmHg
|
|
PSA:
|
74.60000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 13369 ', '2 . Molar volume 4116 ', '3 . Parachor （902K）10822 ', '4 . Surface tension : 477 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 5299']
|
|
Computational_Chemistry:
|
['1 . XlogP 64 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 5 ', '6 . TPSA 746 ', '7 . Heavy Atom Count 34 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 965 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 8 ', '12 . Undefined Atom Stereocenter Count 1 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
331-333°C
|
|
MF:
|
C30H46O4
|
|
Exact_Mass:
|
470.339600
|
|
FW:
|
470.684
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Unknow。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）331-333 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '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 Unknow']
|
