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Molecular_Structure:
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['1 . Molar refractive index 11985 ', '2 . Molar volume （m3/mol）3357 ', '3 . Parachor （902K）8587 ', '4 . Surface tension 427 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 4751']
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LogP:
|
5.12
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Flash_Point:
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235.8±28.6 °C
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Refractive_Index:
|
1.632
|
|
FW:
|
408.444
|
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Density:
|
1.2±0.1 g/cm3
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|
Bolling_Point:
|
578.6±45.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :47 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 554 ', '7. Heavy Atom Count :30 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :434 ', '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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|
Melting_Point:
|
310-317ºC
|
|
PSA:
|
55.38000
|
|
MF:
|
C24H24O6
|
|
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）Unknow ', '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）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']
|
|
Vapor_Pressure:
|
0.0±1.5 mmHg at 25°C
|
|
Exact_Mass:
|
408.157288
|
