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Refractive_Index:
|
1.526
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|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
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Flash_Point:
|
107.0±12.6 °C
|
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LogP:
|
3.83
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|
Bolling_Point:
|
270.2±13.0 °C at 760 mmHg
|
|
FW:
|
194.227
|
|
PSA:
|
46.53000
|
|
Computational_Chemistry:
|
['1 . XlogP 46 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count 4 ', '6 . TPSA 465 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 179 ', '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']
|
|
MF:
|
C11H14O3
|
|
Exact_Mass:
|
194.094299
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5380 ', '2 . Molar volume 1752 ', '3 . Parachor （902K）4464 ', '4 . Surface tension 421 ', '5 . Polarizability 2133']
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
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['1 . Appearance Colourless or Yellow Liquid 。 ', '2 . Density（g/mL,20/4ºC）10728 ', '3 . Melting point（ºC）-59 ', '4 . Boiling point（ºC,1013kPa）271 ', '5 . Refractive index（°C）1511~1512 ', '6 . Flash point（°C）134 ', '7 . Vapor pressure（kPa,20ºC）0004 ', '8 . Solubility 与 Ethanol Ethyl ether 混溶，Insoluble in Water 。 ', '9 相对. Density（25℃，4℃）10693 ', '10 常温. Refractive index（n20）15115 ', '11 常温. Refractive index（n25）15097']
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