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Bolling_Point:
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501.3ºC at 760 mmHg
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LogP:
|
6.64760
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More_Info:
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['1 . Appearance White or 浅Yellow 结晶性粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）140-142 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,12mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,55ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 ']
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Computational_Chemistry:
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['1 . XlogP 77 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 373 ', '7 . Heavy Atom Count 29 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 612 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 9 ', '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:
|
140-142 °C
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|
Exact_Mass:
|
402.35000
|
|
MF:
|
C27H46O2
|
|
Density:
|
1 g/cm3
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|
Refractive_Index:
|
1.51
|
|
PSA:
|
37.30000
|
|
Flash_Point:
|
212.4ºC
|
|
Molecular_Structure:
|
['1. Molar refractive index 12048 ', '2. Molar volume 4026 ', '3. Parachor （902K）9921 ', '4. Surface tension 368 ', '5. Dielectric constant N/A ', '6. Polarizability 4776 ', '7. Single isotope mass 402349781 Da ', '8. Nominal mass 402 Da ', '9. Average mass 4026529 Da']
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|
FW:
|
402.65300
|
