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Refractive_Index:
|
n20/D 1.5888(lit.)
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Vapor_Pressure:
|
0.0427mmHg at 25°C
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Flash_Point:
|
>230 °F
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LogP:
|
2.33190
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Bolling_Point:
|
75 °C0.25 mm Hg
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Water_Solubility:
|
insoluble
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|
FW:
|
163.23900
|
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PSA:
|
44.45000
|
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Computational_Chemistry:
|
['1. XlogP 35 ', '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 444 ', '7. Heavy Atom Count 11 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 144 ', '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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MF:
|
C9H9NS
|
|
Exact_Mass:
|
163.04600
|
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Molecular_Structure:
|
['1. Molar refractive index 5185 ', '2. Molar volume 1621 ', '3. Parachor （902K）3955 ', '4. Surface tension 353 ', '5. Dielectric constant N/A ', '6. Polarizability 2055 ', '7. Single isotope mass 163045569 Da ', '8. Nominal mass 163 Da ', '9. Average mass 1632395 Da']
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Density:
|
1.094 g/mL at 25 °C(lit.)
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More_Info:
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['1 . Appearance Colourless 有刺激性的Liquid ', '2 . Density（g/L,20ºC）1094 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 11mmHg）139-140 ', '7 . Refractive index（nD20）15888 ', '8 . Flash point（ºF）>230 ', '9 . Specific rotation（）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）>110 ', '11 . Vapor pressure（Pa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20ºC）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 反应']
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