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FW:
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96.17020
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MF:
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C7H12
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Refractive_Index:
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n20/D 1.449(lit.)
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Bolling_Point:
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102.5ºC at 760mmHg
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Exact_Mass:
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96.09390
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Vapor_Pressure:
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38.8mmHg at 25°C
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Computational_Chemistry:
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['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :641 ', '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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0.79g/cm3
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LogP:
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2.50670
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Molecular_Structure:
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['1 . Molar refractive index 3194 ', '2 . Molar volume 1203 ', '3 . Parachor （902K）2661 ', '4 . Surface tension : 239 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1266']
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More_Info:
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['1 . Appearance Liquid ', '2 . Density（g/mL,25℃）08 ', '3 气相标准. Combustion heat(焓)(kJ·mol-1)-44335 ', '4 气相标准声称热(焓)( kJ·mol-1) -252 ', '5 . Boiling point（ºC,Atmospheric pressure）102-103 ', '6 液相标准热熔(J·mol-1·K-1)1774 ', '7 . Refractive index（n20/D）1449 ', '8 . Flash point（ºF）20 ', '9 液相标准. Combustion heat(焓)(kJ·mol-1)-44083 ', '10液相标准声称热(焓)( kJ·mol-1)-613 ', '11 . Vapor pressure（psi,55ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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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