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PSA:
|
17.07000
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|
Bolling_Point:
|
338.3±0.0 °C at 760 mmHg
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Molecular_Structure:
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['1 . Molar refractive index 6930 ', '2 . Molar volume 2625 ', '3 . Parachor （902K）6065 ', '4 . Surface tension 284 ', '5 . Polarizability 2747']
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LogP:
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5.84
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More_Info:
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['1 . Appearance Colourless or White 针状结晶体 ', '2 . Density（g/ m3,25/4℃）0897 ', '3 . Melting point（ºC）64~66 ', '4 . Boiling point（ºC,3947KPa）120 ', '5 . Refractive index（n/66D)14637 ', '6 . Flash point（ºC）120 ', '7 . Solubility 能Soluble in Ethanol ，微Soluble in Water 。']
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MF:
|
C15H28O
|
|
Computational_Chemistry:
|
['1. XlogP :58 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :16 ', '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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|
Melting_Point:
|
63-65 °C(lit.)
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|
Refractive_Index:
|
1.441
|
|
Flash_Point:
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139.0±11.3 °C
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|
FW:
|
224.382
|
|
Exact_Mass:
|
224.214020
|
|
Vapor_Pressure:
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0.0±0.7 mmHg at 25°C
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|
Density:
|
0.9±0.1 g/cm3
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