Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 6170 ', '2 . Molar volume 2056 ', '3 . Parachor (902K)4920 ', '4 . Surface tension 327 ', '5 . Polarizability 2446']
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Flash_Point:
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104.4±0.0 °C
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Refractive_Index:
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1.512
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FW:
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192.297
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Density:
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0.9±0.1 g/cm3
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Bolling_Point:
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257.6±0.0 °C at 760 mmHg
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Melting_Point:
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59 - 61ºC
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Computational_Chemistry:
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['1 . XlogP 3 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 5 ', '6 . TPSA 171 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 282 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 1 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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LogP:
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3.86
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Water_Solubility:
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insoluble
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PSA:
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17.07000
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MF:
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C13H20O
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More_Info:
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['1 . Appearance 油状Liquid ,有花香香气,香气似紫罗兰花,还有木香气息,并伴有果香香韵。 ', '2 相对. Density(d254) 0932 ', '3 折光率(n20D)14980 ', '4 . Flash point(℃)104 ', '5 . Boiling point(ºC)258 ', '6 . Boiling point(ºC,1,47kpa)131(1733pa) ', '7 相对. Density(20℃,4℃)09309 ', '8 相对. Density(25℃,4℃)0927 ', '9 常温. Refractive index(n20)14993 ', '10常温. Refractive index(n25)14966']
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Vapor_Pressure:
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0.0±0.5 mmHg at 25°C
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Exact_Mass:
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192.151413
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