|
Molecular_Structure:
|
['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']
|
|
Flash_Point:
|
104.4±0.0 °C
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|
Refractive_Index:
|
1.512
|
|
FW:
|
192.297
|
|
Density:
|
0.9±0.1 g/cm3
|
|
Bolling_Point:
|
257.6±0.0 °C at 760 mmHg
|
|
Melting_Point:
|
59 - 61ºC
|
|
Computational_Chemistry:
|
['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']
|
|
LogP:
|
3.86
|
|
Water_Solubility:
|
insoluble
|
|
PSA:
|
17.07000
|
|
MF:
|
C13H20O
|
|
More_Info:
|
['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:
|
0.0±0.5 mmHg at 25°C
|
|
Exact_Mass:
|
192.151413
|
