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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 21581 ', '2 . Molar volume （m3/mol）7821 ', '3 . Parachor （902K）18940 ', '4 . Surface tension 343 ', '5 . Polarizability 8555']
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LogP:
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18.89
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Flash_Point:
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270.9±23.8 °C
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Refractive_Index:
|
1.464
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FW:
|
723.161
|
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Density:
|
0.9±0.1 g/cm3
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|
Bolling_Point:
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703.5±27.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :187 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :44 ', '5. Isotope Atom Count :N/A ', '6. TPSA 789 ', '7. Heavy Atom Count :51 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :711 ', '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:
|
56-57 °C(lit.)
|
|
PSA:
|
78.90000
|
|
MF:
|
C45H86O6
|
|
More_Info:
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['一物性数据 ', '1. Appearance Colourless Liquid 。 ', '2. Melting point54-58°C。 ', '3. Flash point>110°C（>23000F）。 ', '4自燃点4212°C（78998F）。 ', '5Water 溶性不溶。 ', '6比重1080。 ', '7稳定性常温Atmospheric pressure下稳定。']
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|
Vapor_Pressure:
|
0.0±2.2 mmHg at 25°C
|
|
Exact_Mass:
|
722.642456
|
