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Molecular_Structure:
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['1 . Molar refractive index 2656 ', '2 . Molar volume （m3/mol）833 ', '3 . Parachor （902K）2830 ', '4 . Surface tension 1329 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）1053']
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Flash_Point:
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306.5±32.9 °C
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|
Refractive_Index:
|
1.550
|
|
FW:
|
176.002
|
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Density:
|
2.1±0.1 g/cm3
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|
Bolling_Point:
|
583.2±60.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1 . XlogP -33 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 115 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 152 ', '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']
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|
LogP:
|
-4.11
|
|
Melting_Point:
|
197-199 °C(lit.)
|
|
PSA:
|
134.68000
|
|
MF:
|
CH6O6P2
|
|
More_Info:
|
['1 . Appearance 晶体 ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）199-200 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，30mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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']
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|
Vapor_Pressure:
|
0.0±3.5 mmHg at 25°C
|
|
Exact_Mass:
|
175.963959
|
