|
Refractive_Index:
|
1.429
|
|
Flash_Point:
|
124 °C
|
|
LogP:
|
3.69020
|
|
Bolling_Point:
|
245 °C
|
|
FW:
|
200.31800
|
|
PSA:
|
26.30000
|
|
Computational_Chemistry:
|
['1. XlogP :44 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :132 ', '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']
|
|
MF:
|
C12H24O2
|
|
Exact_Mass:
|
200.17800
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 5941 ', '2 . Molar volume 2300 ', '3 . Parachor （902K）5343 ', '4 . Surface tension 290 ', '5 . Polarizability 2355']
|
|
Density:
|
0.86
|
|
More_Info:
|
['一物性数据 ', '1 . Boiling point（ºC,Atmospheric pressure）245°C01mm Hg(lit) ', '2 . Density086g/mLat 25°C(lit ', '3 . Flash point（ºC）124ºC ', '4 . Melting point（ºC）-429 ', '5 相对. Density（20℃，4℃）08628 ', '6 相对. Density（25℃，4℃）08584 ', '7常温. Refractive index（n25）14232']
|
