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Molecular_Structure:
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['1. Molar refractive index 8051 ', '2. Molar volume 2767 ', '3. Parachor （902K）6648 ', '4. Surface tension 332 ', '5. Dielectric constant N/A ', '6. Polarizability 3191 ', '7. Single isotope mass 252191171 Da ', '8. Nominal mass 252 Da ', '9. Average mass 2524585 Da']
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Flash_Point:
|
114.9±5.5 °C
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Refractive_Index:
|
1.494
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FW:
|
252.458
|
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Density:
|
0.9±0.1 g/cm3
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|
Bolling_Point:
|
332.8±11.0 °C at 760 mmHg
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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 :11 ', '5. Isotope Atom Count :N/A ', '6. TPSA 282 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :156 ', '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:
|
8.20
|
|
PSA:
|
28.24000
|
|
MF:
|
C16H28S
|
|
More_Info:
|
['1 . Appearance Colourless or 浅Yellow Liquid ', '2 . Density（g/mL,25℃）0902 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）290 ', '6 . Boiling point（ºC，35mmHg）Unknow ', '7 . Refractive index(n20/D)1488 ', '8 . Flash point（ºC）110 ', '9 . Specific rotation（º）Unknow ', '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:
|
252.191177
|
