|
Refractive_Index:
|
1.807
|
|
Flash_Point:
|
199.7ºC
|
|
LogP:
|
3.37200
|
|
Bolling_Point:
|
462.6ºC at 760 mmHg
|
|
PSA:
|
34.14000
|
|
Molecular_Structure:
|
['1. Molar refractive index 6976 ', '2. Molar volume 162 ', '3. Parachor （902K）4725 ', '4. Surface tension 723 ', '5. Dielectric constant N/A ', '6. Polarizability 2765 ', '7. Single isotope mass 232052429Da ', '8. Nominal mass 232Da ', '9. Average mass 2322335Da']
|
|
Computational_Chemistry:
|
['1 . XlogP 32 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count ', '6 . TPSA 341 ', '7 . Heavy Atom Count 18 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 400 ', '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:
|
270-273ºC(lit.)
|
|
MF:
|
C16H8O2
|
|
Exact_Mass:
|
232.05200
|
|
FW:
|
232.23400
|
|
Density:
|
1.433g/cm3
|
|
More_Info:
|
['1 . Appearance 橘Yellow or 棕色粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）270-273 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，17mmHg）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,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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']
|
