|
FW:
|
128.21200
|
|
MF:
|
C8H16O
|
|
Refractive_Index:
|
1.41
|
|
More_Info:
|
['一物性数据 ', '1 . Boiling point（ºC,Atmospheric pressure）163 ', '2 . Density082g/mLat 25°C(lit ', '3 相对. Density（20℃，4℃）08190 ', '4 相对. Density（25℃，4℃）08146 ', '5 . Refractive index(n14D)14173 ', '6 常温. Refractive index（n25）14120 ', '7 . Critical temperature（ºC）35065 ', '8 临界. Density（g·cm-3）0258 ', '9 临界体积（cm3·mol-1）497 ', '10 . Melting point（ºC）164~167 ', '11 . Flash point（ºC）45 ', '12 . Solubility Insoluble in Water ，与 Ethanol Ethyl ether 互溶。']
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|
Bolling_Point:
|
163ºC at 760mmHg
|
|
Exact_Mass:
|
128.12000
|
|
PSA:
|
17.07000
|
|
Computational_Chemistry:
|
['1. XlogP :21 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :766 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 3914 ', '2 . Molar volume 1577 ', '3 . Parachor （902K）3554 ', '4 . Surface tension 258 ', '5 . Polarizability 1551']
|
|
LogP:
|
2.54580
|
|
Flash_Point:
|
53.7ºC
|
|
Density:
|
0.812g/cm3
|
