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FW:
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82.14360
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MF:
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C6H10
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Refractive_Index:
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n20/D 1.438(lit.)
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More_Info:
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['1 . Appearance Colourless Liquid ', '2 . Density（g/ cm3,25/4℃）0727 ', '3 液相标准. Combustion heat(焓)(kJ·mol-1)-380435 ', '4 . Melting point（ºC）-76 ', '5 . Boiling point（ºC,Atmospheric pressure）68-69 ', '6 液相标准声称热(焓)( kJ·mol-1)1414 ', '7 . Refractive index1438 ', '8 . Flash point（ºF）-8 ', '9 液相标准热熔(J·mol-1·K-1)1801 ', '10 气相标准. Combustion heat(焓)(kJ·mol-1)-383531 ', '11 气相标准声称热(焓)( kJ·mol-1)4510 ', '12 气相标准熵(J·mol-1·K-1) 34041 ', '13 气相标准生成自由能( kJ·mol-1)1487 ', '14 气相标准热熔(J·mol-1·K-1)1265 ', '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 Soluble in Water ']
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Bolling_Point:
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68-69 °C(lit.)
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Exact_Mass:
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82.07830
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Computational_Chemistry:
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['1. XlogP :31 ', '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 :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :66 ', '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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Molecular_Structure:
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['1 . Molar refractive index 2898 ', '2 . Molar volume 1173 ', '3 . Parachor （902K）2412 ', '4 . Surface tension 178 ', '5 . Dielectric constant （F/m）213 ', '6 . Polarizability 1148']
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LogP:
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2.13860
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Melting_Point:
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−76 °C(lit.)
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Flash_Point:
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−8 °F
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Density:
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0.727 g/mL at 20 °C
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