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Molecular_Structure:
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['1. Molar refractive index 3484 ', '2. Molar volume 1265 ', '3. Parachor （902K）3031 ', '4. Surface tension 329 ', '5. Dielectric constant 251 ', '6. Polarizability 1381 ', '7. Single isotope mass 1080939 Da ', '8. Nominal mass 108 Da ', '9. Average mass 1081809 Da']
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Flash_Point:
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69.8
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Refractive_Index:
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n20/D 1.4490(lit.)
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FW:
|
108.18100
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Density:
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0.827 g/mL at 25ºC(lit.)
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Bolling_Point:
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132-134ºC(lit.)
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Computational_Chemistry:
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['1. XlogP :3 ', '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 :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :985 ', '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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LogP:
|
2.19990
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Melting_Point:
|
132-134ºC
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MF:
|
C8H12
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|
More_Info:
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['1 . Appearance Colourless or Yellow Liquid ', '2 . Density（g/mL,20℃）0827 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）132-134 ', '5 . Boiling point（ºC,Atmospheric pressure）132-134 ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexn20/D 14490 ', '8 . Flash point（ºC）21 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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 Insoluble in Water ']
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Vapor_Pressure:
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11.3mmHg at 25°C
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Exact_Mass:
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108.09400
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