|
MF:
|
C13H9ClOS
|
|
Bolling_Point:
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102-104°C 14mm
|
|
Exact_Mass:
|
248.00600
|
|
More_Info:
|
['1 . Appearance White 粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）71-74 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，14mmHg）102-104 ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '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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Melting_Point:
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71-74°C
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|
PSA:
|
42.37000
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Flash_Point:
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102-104°C/14mm
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Refractive_Index:
|
1.654
|
|
Density:
|
1.31 g/cm3
|
|
Molecular_Structure:
|
['1. Molar refractive index 6927 ', '2. Molar volume 1887 ', '3. Parachor （902K）5141 ', '4. Surface tension 55 ', '5. Dielectric constant N/A ', '6. Polarizability 2746 ', '7. Single isotope mass 248006263 Da ', '8. Nominal mass 248 Da ', '9. Average mass 248728 Da']
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Computational_Chemistry:
|
['1. XlogP :41 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 424 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :226 ', '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:
|
248.72800
|
|
LogP:
|
4.30370
|
|
Vapor_Pressure:
|
1.12E-05mmHg at 25°C
|
