|
MF:
|
C22H30O2S
|
|
Bolling_Point:
|
475.6±45.0 °C at 760 mmHg
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|
Exact_Mass:
|
358.196655
|
|
More_Info:
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['1 . Appearance White to 黄褐色粉末。 ', '2 相对 . Density（g/mL,25/4℃）106～112 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）161～164 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）215 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,202ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 Soluble in 苯 Ethanol 丙酮 Ethyl ether ，微Soluble in 石油醚，Insoluble in Water 。']
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Melting_Point:
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160-165 °C
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|
PSA:
|
65.76000
|
|
Flash_Point:
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230.7±27.4 °C
|
|
Refractive_Index:
|
1.595
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Molecular_Structure:
|
['分子性质数据 ', '1 . Molar refractive index 10882 ', '2 . Molar volume 3203 ', '3 . Parachor （902K）8463 ', '4 . Surface tension 487 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 4314']
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Computational_Chemistry:
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['1. XlogP :74 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :21 ', '6. TPSA 658 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :396 ', '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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|
FW:
|
358.537
|
|
LogP:
|
7.63
|
|
Vapor_Pressure:
|
0.0±1.2 mmHg at 25°C
|
