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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 76051801 Da ', '8. Nominal mass 76 Da ', '9. Average mass 759689 Da']
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Flash_Point:
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65 °F
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Refractive_Index:
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1.4570
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FW:
|
75.969
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Density:
|
1.287 g/mL at 25 °C
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Bolling_Point:
|
~34 °C
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Melting_Point:
|
-40--37°C
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 253 ', '7. Heavy Atom Count :4 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :28 ', '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 :2']
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Water_Solubility:
|
起反应
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|
PSA:
|
25.30000
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MF:
|
C2H9BS
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|
More_Info:
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['1 . Appearance Liquid 。有恶臭。对湿and Atmosphere 敏感。遇Water 反应剧烈并放出易燃气体。 ', '2 . Density（g/mL,25/4℃） 0800 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC） -40～-38 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC） 18 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）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 易Soluble in 二氯甲烷苯甲苯二甲苯己烷 Ethyl ether 二甘醇二甲醚二甲基乙二醚以及乙酸乙酯，Insoluble in Water ，且与Water 缓慢反应，易与 Ethanol 丙酮反应。']
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Exact_Mass:
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76.051804
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