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Refractive_Index:
|
1.603
|
|
Vapor_Pressure:
|
0.0±1.4 mmHg at 25°C
|
|
Flash_Point:
|
122.0±18.0 °C
|
|
LogP:
|
0.42
|
|
Bolling_Point:
|
290.1±33.0 °C at 760 mmHg
|
|
PSA:
|
37.30000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3281 ', '2 . Molar volume 955 ', '3 . Parachor （902K）2620 ', '4 . Surface tension 565 ', '5 . Polarizability 1300']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 373 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :209 ', '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:
|
50-52 °C(lit.)
|
|
MF:
|
C7H6O2
|
|
Exact_Mass:
|
122.036781
|
|
FW:
|
122.121
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 浅Yellow Solid ', '2 气相标准. Combustion heat(焓)(kJ·mol-1)-34566 ', '3 气相标准声称热(焓)( kJ·mol-1) -1554 ', '4 . Melting point（ºC）505 ', '5 . Boiling point（ºC,Atmospheric pressure）66-67 ', '6 晶相相标准. Combustion heat(焓)(kJ·mol-1)-33727 ', '7 晶相标准声称热(焓)( kJ·mol-1)-2393 ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,551ºC）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 Soluble in Water ']
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