|
Molecular_Structure:
|
['1 . Molar refractive index 11996 ', '2 . Molar volume 3159 ', '3 . Parachor （902K）9237 ', '4 . Surface tension 730 ', '5 . Polarizability 4755']
|
|
LogP:
|
2.59
|
|
Flash_Point:
|
274.5±26.4 °C
|
|
Refractive_Index:
|
1.684
|
|
FW:
|
482.436
|
|
Density:
|
1.5±0.1 g/cm3
|
|
Bolling_Point:
|
793.0±60.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1 . XlogP 24 ', '2 . Hydrogen Bond Donor Count 5 ', '3 . Hydrogen Bond Acceptor Count 10 ', '4 . Rotatable Bond Count 4 ', '5 . TPSA 155 ', '6 . Heavy Atom Count 35 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 750 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 3 ', '11 . Undefined Atom Stereocenter Count 1 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
|
PSA:
|
155.14000
|
|
MF:
|
C25H22O10
|
|
More_Info:
|
['1 . Appearance 为White 结晶粉末。无臭，味微苦，有吸湿性。 2 . Density（g/mL,25/4℃） ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow 4 . Melting point（ºC）167 5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow 9 . Specific rotation（º）［α］20D为+11°(丙酮) 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） ', '19 . Solubility 难Soluble in Water and 氯仿，易Soluble in 碱性Water 溶液，微Soluble in 甲醇and Ethanol ，可Soluble in 丙酮and 乙酸乙酯等有机溶剂。']
|
|
Vapor_Pressure:
|
0.0±2.9 mmHg at 25°C
|
|
Exact_Mass:
|
482.121307
|
