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Molecular_Structure:
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['1. Molar refractive index 10599 ', '2. Molar volume 3344 ', '3. Parachor （902K）8443 ', '4. Surface tension 406 ', '5. Dielectric constant N/A ', '6. Polarizability 4202 ', '7. Single isotope mass 374282095 Da ', '8. Nominal mass 374 Da ', '9. Average mass 3745567 Da']
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LogP:
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5.37760
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Flash_Point:
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148.7ºC
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FW:
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374.55700
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Density:
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1.12 g/cm3
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Bolling_Point:
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435.9ºC at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 61 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 277 ', '7 . Heavy Atom Count 27 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 615 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 9 ', '12. Undefined Atom Stereocenter Count 1 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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Melting_Point:
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150-154ºC(lit.)
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|
PSA:
|
27.69000
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|
MF:
|
C24H38O3
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|
More_Info:
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['1 . Appearance White 结晶 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）150-154 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，7mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）-2025 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）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 Unknow']
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Exact_Mass:
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374.28200
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