|
MF:
|
C6H10O
|
|
Bolling_Point:
|
138°C
|
|
Exact_Mass:
|
98.07320
|
|
More_Info:
|
['一物性数据 ', '1 . Density0875g/mLat 25°C(lit ', '2 . Melting point（ºC）-70 ', '3 . Boiling point（ºC,Atmospheric pressure）138°C01mm Hg(lit) ', '4 . Refractive index14490 ', '5 . Flash point（ºC）34']
|
|
Melting_Point:
|
-70°C
|
|
PSA:
|
17.07000
|
|
Flash_Point:
|
34°C
|
|
Refractive_Index:
|
1.4490
|
|
Density:
|
0.875 g/mL at 20 °C(lit.)
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 2977 ', '2 . Molar volume （m3/mol）1181 ', '3 . Parachor （902K）2593 ', '4 . Surface tension 232 ', '5 . Polarizability 1180']
|
|
Computational_Chemistry:
|
['四计算化学数据 ', '1 . XlogP 11 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 171 ', '6 . Heavy Atom Count 7 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 101 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 1 ', '13 不确定化学键立 ', '14 . Covalently-Bonded Unit Count 1']
|
|
FW:
|
98.14300
|
|
LogP:
|
1.54160
|
