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Molecular_Structure:
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['1. Molar refractive index 8135 ', '2. Molar volume 2528 ', '3. Parachor (902K)6377 ', '4. Surface tension 404 ', '5. Dielectric constant N/A ', '6. Polarizability 3225 ', '7. Single isotope mass 271157229Da ', '8. Nominal mass 271Da ', '9. Average mass 2713541Da']
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LogP:
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3.26520
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Flash_Point:
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212 °F
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Refractive_Index:
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n20/D 1.536(lit.)
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FW:
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271.35400
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Density:
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1.045 g/mL at 25 °C(lit.)
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Bolling_Point:
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118-120 °C(lit.)
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Computational_Chemistry:
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['1 . XlogP 32 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count ', '6 . TPSA 229 ', '7 . Heavy Atom Count 20 ', '8 . Topological Polar Surface Area 1 ', '9 . Complexity 223 ', '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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PSA:
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21.70000
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MF:
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C17H21NO2
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More_Info:
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['1 . Appearance Liquid ', '2 . Density(g/mL,25ºC)未1045 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC)118-120 ', '6 . Boiling point(ºC,05mmHg)138-140 ', '7 . Refractive indexn 20/D 1536(lit) ', '8 . Flash point(°F)212 ', '9 . Specific rotation(ºF)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,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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Vapor_Pressure:
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3.39E-05mmHg at 25°C
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Exact_Mass:
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271.15700
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