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Refractive_Index:
|
1.433
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|
Vapor_Pressure:
|
1.4±0.3 mmHg at 25°C
|
|
Flash_Point:
|
54.4±0.0 °C
|
|
LogP:
|
1.42
|
|
Bolling_Point:
|
177.0±0.0 °C at 760 mmHg
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|
Water_Solubility:
|
2 g/100 mL
|
|
PSA:
|
21.76000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3579 ', '2 . Molar volume 1377 ', '3 . Parachor （902K）3278 ', '4 . Surface tension 320 ', '5 . Polarizability 1419']
|
|
Computational_Chemistry:
|
['1 . XlogP 1 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count ', '6 . TPSA 218 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 733 ', '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']
|
|
MF:
|
C7H14O2
|
|
Exact_Mass:
|
130.099380
|
|
FW:
|
130.185
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless Liquid ', '2 . Density（g/mL, ,20℃）0915 ', '3 . Boiling point（ºC,Atmospheric pressure）164 ', '4 . Refractive index（nD20）1418 ', '5 . Flash point（ºC）59 ', '6 . Solubility 能Soluble in Ethanol 丙酮and 苯等有机溶剂。']
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