|
Refractive_Index:
|
1.431
|
|
Vapor_Pressure:
|
1.8±0.3 mmHg at 25°C
|
|
Flash_Point:
|
55.0±0.0 °C
|
|
LogP:
|
2.73
|
|
Bolling_Point:
|
166.4±9.0 °C at 760 mmHg
|
|
FW:
|
142.196
|
|
PSA:
|
26.30000
|
|
Computational_Chemistry:
|
['四计算化学数据 ', '1 . XlogP 23 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 4 ', '5 . TPSA 263 ', '6 . Heavy Atom Count 10 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 125 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 1 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
|
MF:
|
C8H14O2
|
|
Exact_Mass:
|
142.099380
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4090 ', '2 . Molar volume 1580 ', '3 . Parachor （902K）3597 ', '4 . Surface tension 268 ', '5 . Polarizability （10 -24cm 3）1621']
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1 . Density089g/mLat 25°C(lit ', '2 . Boiling point（ºC,Atmospheric pressure）171°C01mm Hg(lit) ', '3 . Refractive indexn20/D 1428(lit) ', '4 . Flash point（ºC）131°F ', '5 Colourless Liquid 。具有强烈的Water 果香气and 果酱风味。Soluble in Ethanol 丙二醇and 大多数非挥发性油，微Soluble in Water 。']
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