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Refractive_Index:
|
1.607
|
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
Flash_Point:
|
146.4±13.7 °C
|
|
LogP:
|
4.01
|
|
Bolling_Point:
|
320.0±0.0 °C at 760 mmHg
|
|
Water_Solubility:
|
Slightly soluble
|
|
PSA:
|
46.53000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 6439 ', '2 . Molar volume 1864 ', '3 . Parachor （902K）4992 ', '4 . Surface tension 514 ', '5 . Polarizability 2552']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :4 ', '6. TPSA 465 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :246 ', '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:
|
18-20 °C
|
|
MF:
|
C14H12O3
|
|
Exact_Mass:
|
228.078644
|
|
FW:
|
228.243
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 结晶性粉末，气温较高时为Colourless Liquid ，微具有甜香味。 ', '2 相对. Density1176~1179（25℃） ', '3 . Melting point（ºC）24～26 ', '4 . Boiling point（ºC,1013kPa）320 ', '5 . Boiling point（ºC,316kPa）208 ', '6 . Boiling point（ºC,133kPa）186~188 ', '7 . Refractive index（20ºC）1580~1581 ', '8 . Flash point（ºC）167 ', '9 . Solubility Insoluble in Water ，可Soluble in Ethanol 。']
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