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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 2990 ', '2 . Molar volume 1211 ', '3 . Parachor （902K）2580 ', '4 . Surface tension 205 ', '5. Dielectric constant （F/m）255 ', '6 . Polarizability （10 -24cm 3）1185']
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LogP:
|
2.36260
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|
Refractive_Index:
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n20/D 1.394(lit.)
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FW:
|
84.15950
|
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Density:
|
0.694g/cm3
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|
Bolling_Point:
|
67ºC(lit.)
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|
Computational_Chemistry:
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['1. XlogP :25 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :293 ', '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 :1 ', '15. Covalently-Bonded Unit Count :1']
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|
Melting_Point:
|
-113ºC
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|
Exact_Mass:
|
84.09390
|
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More_Info:
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['一物性数据 ', '1 . Melting point（ºC）-113 ', '2 . Boiling point（ºC,Atmospheric pressure）67°C01mm Hg(lit) ', '3 . Density0677g/mLat 25°C(lit ', '4 . Refractive indexn20/D 1394(lit) ', '5 . Flash point（ºC）10°F']
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MF:
|
C6H12
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