|
PSA:
|
64.82000
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Bolling_Point:
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281.2±20.0 °C at 760 mmHg
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Molecular_Structure:
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['1 . Molar refractive index 4355 ', '2 . Molar volume （m3/mol）1162 ', '3 . Parachor （902K）3174 ', '4 . Surface tension 555 ', '5 . Dielectric constant 不可用 ', '6 偶极距（10 -24cm 3）不可用 ', '7 . Polarizability 1726']
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LogP:
|
2.55
|
|
More_Info:
|
['1 . Appearance 淡Yellow 结晶。 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）56-61 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,23mmHg）Unknow ', '7 . Refractive index(n 20/D) Unknow ', '8 . Flash point（ºF）Unknow ', '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 Unknow']
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|
MF:
|
C6H6ClNS
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :5 ', '6. TPSA 27 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :991 ', '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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Melting_Point:
|
56-61 °C(lit.)
|
|
Refractive_Index:
|
1.672
|
|
Flash_Point:
|
123.9±21.8 °C
|
|
FW:
|
159.637
|
|
Exact_Mass:
|
158.990952
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Density:
|
1.4±0.1 g/cm3
|
