|
FW:
|
195.21700
|
|
Refractive_Index:
|
1.72
|
|
Flash_Point:
|
209.4ºC
|
|
LogP:
|
3.06140
|
|
Bolling_Point:
|
422.6ºC at 760 mmHg
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）154-155 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,760mmHg）Unknow ', '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,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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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|
Computational_Chemistry:
|
['1 . XlogP 26 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 5 ', '6 . TPSA 431 ', '7 . Heavy Atom Count 15 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 276 ', '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:
|
154-155ºC(lit.)
|
|
MF:
|
C13H9NO
|
|
Exact_Mass:
|
195.06800
|
|
Molecular_Structure:
|
['1. Molar refractive index 5816 ', '2. Molar volume 1471 ', '3. Parachor （902K）4175 ', '4. Surface tension 648 ', '5. Dielectric constant N/A ', '6. Polarizability 2305 ', '7. Single isotope mass 195068414Da ', '8. Nominal mass 195Da ', '9. Average mass 1952167Da']
|
|
Density:
|
1.327g/cm3
|
|
PSA:
|
43.09000
|
