|
Refractive_Index:
|
1.480
|
|
Vapor_Pressure:
|
0.0±2.2 mmHg at 25°C
|
|
Flash_Point:
|
219.8±18.3 °C
|
|
LogP:
|
5.70
|
|
Bolling_Point:
|
416.4±20.0 °C at 760 mmHg
|
|
PSA:
|
57.53000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 8855 ', '2 . Molar volume 3117 ', '3 . Parachor （902K）7713 ', '4 . Surface tension 374 ', '5 . Polarizability 3510']
|
|
Computational_Chemistry:
|
['四计算化学数据 ', '1 . XlogP 57 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 15 ', '5 . TPSA 575 ', '6 . Heavy Atom Count 21 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 261 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 1 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 1 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
〈10ºC
|
|
MF:
|
C18H34O3
|
|
Exact_Mass:
|
298.250793
|
|
FW:
|
298.461
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1. Appearance Liquid ', '2. Density（g/mL , 20 ℃ ）0940 ', '3. Flash point（℃）248 ', '4. Melting point（℃）55 ', '5. Boiling point（ºC,133kpa）245 ', '6. Specific rotation（º, c=5，丙酮）+715 ', '7. Solubility Soluble in Ethanol 丙酮 Ethyl ether 氯仿。']
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