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Molecular_Structure:
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['1 . Molar refractive index 3938 ', '2 . Molar volume 1272 ', '3 . Parachor （902K）3174 ', '4 . Surface tension 387 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1561']
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Flash_Point:
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110.3±14.6 °C
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|
Refractive_Index:
|
1.531
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FW:
|
138.164
|
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Density:
|
1.1±0.1 g/cm3
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|
Bolling_Point:
|
259.0±0.0 °C at 760 mmHg
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Melting_Point:
|
22-25 °C(lit.)
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 295 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :853 ', '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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|
LogP:
|
0.95
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|
Water_Solubility:
|
insoluble
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|
PSA:
|
29.46000
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|
MF:
|
C8H10O2
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|
More_Info:
|
['1 . Appearance Colourless or 浅Yellow Liquid or Solid 。 ', '2 相对. Density（g/mL,25/4℃）1108 ', '3 相对. Density（g/mL,15/15℃）1113 ', '4 . Melting point（ºC）24~25 ', '5 . Boiling point（ºC,Atmospheric pressure）259 ', '6 . Flash point（ºC）110 ', '7 . Refractive index（20ºC）15442 ', '8 . Refractive index（25ºC）15420 ', '9 . Solubility 易Soluble in Ethanol and Ethyl ether ，几乎Insoluble in Water 。']
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Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
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|
Exact_Mass:
|
138.068085
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