Refractive_Index:
|
1.624
|
Vapor_Pressure:
|
3.31E-05mmHg at 25°C
|
Flash_Point:
|
136.2ºC
|
LogP:
|
3.31720
|
Bolling_Point:
|
195-200ºC17 mm Hg(lit.)
|
PSA:
|
17.07000
|
Molecular_Structure:
|
['1. Molar refractive index 6536 ', '2. Molar volume 1941 ', '3. Parachor (902K)4936 ', '4. Surface tension 417 ', '5. Dielectric constant N/A ', '6. Polarizability 2591 ', '7. Single isotope mass 208088815 Da ', '8. Nominal mass 208 Da ', '9. Average mass 2082552 Da']
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Computational_Chemistry:
|
['1. XlogP :37 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 171 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :222 ', '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']
|
Melting_Point:
|
44-46ºC(lit.)
|
MF:
|
C15H12O
|
Exact_Mass:
|
208.08900
|
FW:
|
208.25500
|
Density:
|
1.072g/cm3
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density(g/mL,15℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)44-46 ', '5 . Boiling point(ºC,Atmospheric pressure)195-200 ', '6 . Refractive indexUnknow ', '7 . Flash point(ºC)113 ', '8 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '9 . Specific rotation(º) Unknow ', '10 . Vapor pressure(kPa,25ºC)Unknow ', '11 . Saturated vapor pressure(kPa,60ºC)Unknow ', '12 . Combustion heat(KJ/mol)Unknow ', '13 . Critical temperature(ºC)Unknow ', '14 . Critical pressure(KPa)Unknow ', '15 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion(%,V/V)Unknow ', '17 . Lower limit of explosion(%,V/V)Unknow ', '18 . Solubility Unknow']
|