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Refractive_Index:
|
n20/D 1.605(lit.)
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Flash_Point:
|
>230 °F
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LogP:
|
1.75660
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Bolling_Point:
|
122 °C30 mm Hg(lit.)
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Water_Solubility:
|
insoluble
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PSA:
|
55.87000
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Molecular_Structure:
|
['1 . Molar refractive index 4044 ', '2 . Molar volume 1098 ', '3 . Parachor （902K）3108 ', '4 . Surface tension 641 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1603']
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Computational_Chemistry:
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['1 . XlogP 24 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 171 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 106 ', '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:
|
15-18 °C(lit.)
|
|
MF:
|
C7H6OS
|
|
Exact_Mass:
|
138.01400
|
|
FW:
|
138.18700
|
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Density:
|
1.174 g/mL at 25 °C(lit.)
|
|
More_Info:
|
['1 . Appearance Yellow Liquid ，有恶臭。 ', '2 . Density（g/mL,25℃）1174 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）15-18 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,30mmHg）122 ', '7 . Refractive index1605 ', '8 . Flash point（ºC）94 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,ºC）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 Unknow']
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