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MF:
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C16H12
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Bolling_Point:
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324-325 °C(lit.)
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Exact_Mass:
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204.09400
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More_Info:
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['物性数据 1 . Density（ g/mL ,25/4 ℃） 1085 ', '2 . Refractive index（nD20）1664 ', '3 . Flash point（℉）>230 ', '4 . Boiling point（ºC） 324-325']
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Flash_Point:
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>230 °F
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Computational_Chemistry:
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['1. XlogP :48 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :214 ', '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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Density:
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1.085 g/mL at 25 °C(lit.)
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|
Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 6868 ', '2 . Molar volume （m3/mol）1888 ', '3 . Parachor （902K）4844 ', '4 . Surface tension 433 ', '5. Dielectric constant （F/m）294 ', '6 . Polarizability （10 -24cm 3）2722']
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FW:
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204.26600
|
|
LogP:
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4.50680
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Refractive_Index:
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n20/D 1.664(lit.)
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