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Refractive_Index:
|
1.447
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Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
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Flash_Point:
|
184.2±7.5 °C
|
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LogP:
|
9.74
|
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Bolling_Point:
|
375.0±5.0 °C at 760 mmHg
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Water_Solubility:
|
Insuluble (1.5E-4 g/L) (25 ºC)
|
|
PSA:
|
26.30000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 10111 ', '2 . Molar volume 3786 ', '3 . Parachor （902K）8923 ', '4 . Surface tension 308 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 4008']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :19 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :23 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :238 ', '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:
|
45-48 °C(lit.)
|
|
MF:
|
C21H42O2
|
|
Exact_Mass:
|
326.318481
|
|
FW:
|
326.557
|
|
Density:
|
0.8633 g/cm3 (20 ºC)
|
|
More_Info:
|
['1 . Appearance White or 微Yellow 片状结晶。 ', '2 . Density（g/mL,25℃）14317 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）545 ', '5 . Boiling point（ºC,Atmospheric pressure）215~216（1333kpa） ', '6 . Boiling point（ºC,10mmHg）215-216 ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC,10mm）1842 ', '9 . Specific rotation（º）Unknow 10 . Spontaneous ignition point or ignition temperature（ºC）>110 11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 能Soluble in Ethanol Ethyl ether 苯氯仿，Insoluble in Water 。']
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