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Molecular_Structure:
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['1. Molar refractive index 5465 ', '2. Molar volume 1673 ', '3. Parachor （902K）4384 ', '4. Surface tension 471 ', '5. Dielectric constant N/A ', '6. Polarizability 2166 ', '7. Single isotope mass 215097999 Da ', '8. Nominal mass 215 Da ', '9. Average mass 2153125 Da']
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Flash_Point:
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150.3±23.2 °C
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Refractive_Index:
|
1.567
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FW:
|
215.313
|
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Density:
|
1.3±0.1 g/cm3
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Bolling_Point:
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324.8±25.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1 . XlogP 15 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count ', '6 . TPSA 462 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 381 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 3 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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|
LogP:
|
1.04
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|
Melting_Point:
|
181-185ºC
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|
PSA:
|
54.55000
|
|
MF:
|
C10H17NO2S
|
|
More_Info:
|
['1 . Appearance White 晶体 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）185-187 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，2mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）33 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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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|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
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|
Exact_Mass:
|
215.097992
|
