|
FW:
|
150.218
|
|
MF:
|
C10H14O
|
|
Refractive_Index:
|
1.481
|
|
More_Info:
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['1. Appearance Colourless to 淡Yellow Liquid 。葛缕子and 莳萝油的香气。 ', '2. Boiling point（ºC）228 ', '3相对. Density（25ºC/4 ºC）0955-0960 ', '4. Flash point（ºC）:88 ', '5. Solubility 易Soluble in Ethanol 丙酮氯仿等有机溶剂，难Soluble in Water and 甘油。 ', '6 . Refractive index(n20D)14988']
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|
Vapor_Pressure:
|
0.1±0.5 mmHg at 25°C
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|
Bolling_Point:
|
230.5±35.0 °C at 760 mmHg
|
|
Exact_Mass:
|
150.104462
|
|
PSA:
|
17.07000
|
|
Computational_Chemistry:
|
['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :5 ', '6. TPSA 171 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :223 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
Molecular_Structure:
|
['1 . Molar refractive index 4548 ', '2 . Molar volume 1597 ', '3 . Parachor （902K）3733 ', '4 . Surface tension 298 ', '5 . Polarizability 1803']
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|
LogP:
|
2.27
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|
Flash_Point:
|
88.9±0.0 °C
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|
Density:
|
0.9±0.1 g/cm3
|
