Molecular_Structure:
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['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor (902K)N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 345147609 Da ', '8. Nominal mass 345 Da ', '9. Average mass 3453402 Da']
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Flash_Point:
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116.6ºC
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Refractive_Index:
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1.5748 (25ºC)
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FW:
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345.340
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Density:
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1.01
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Bolling_Point:
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228ºC at 760mmHg
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 803 ', '7. Heavy Atom Count :21 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :939 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :2 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :3']
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LogP:
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1.90540
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Melting_Point:
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38ºC
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PSA:
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80.26000
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MF:
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C16H30CoO4
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More_Info:
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['1 . Appearance 紫色Liquid ', '2 . Density(g/mL,25℃)1388 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)38 ', '5 . Boiling point(ºC,Atmospheric pressure)226 ', '6 . Boiling point(ºC,8mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºF)104 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)0084 ', '12 . Saturated vapor pressure(kPa,83-85ºC)Unknow ', '13 . Combustion heat(KJ/mol)4624 ', '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 Soluble in Water ']
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Exact_Mass:
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345.147614
|