|
MF:
|
C9H10O3
|
|
Water_Solubility:
|
slightly soluble
|
|
Bolling_Point:
|
234.4±13.0 °C at 760 mmHg
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|
Exact_Mass:
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166.062988
|
|
More_Info:
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['1 . Appearance Colourless Liquid ', '2 相对. Density1131（20ºC） ', '3 . Melting point（ºC）2 ', '4 . Boiling point（ºC,Atmospheric pressure）231~240 ', '5 . Boiling point（ºC,493KPa）1328 ', '6 . Refractive index（20ºC）15226 ', '7 . Flash point（ºC）107 ', '8 . Solubility Insoluble in Water ，Soluble in 醇and 醚。 ', '9 相对. Density（25℃，4℃）1119030 ', '10常温. Refractive index（n25）15216']
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Melting_Point:
|
1 °C(lit.)
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|
PSA:
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46.53000
|
|
Flash_Point:
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107.2±0.0 °C
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|
Refractive_Index:
|
1.539
|
|
Density:
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1.2±0.1 g/cm3
|
|
Molecular_Structure:
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['1 . Molar refractive index 4454 ', '2 . Molar volume 1422 ', '3 . Parachor （902K）3669 ', '4 . Surface tension 442 ', '5 . Polarizability 1765']
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|
Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :4 ', '6. TPSA 465 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :156 ', '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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|
FW:
|
166.174
|
|
LogP:
|
2.77
|
|
Vapor_Pressure:
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0.0±0.5 mmHg at 25°C
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