|
Refractive_Index:
|
1.427
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
96.3±17.3 °C
|
|
LogP:
|
5.33
|
|
Bolling_Point:
|
262.7±20.0 °C at 760 mmHg
|
|
FW:
|
232.360
|
|
PSA:
|
27.69000
|
|
Computational_Chemistry:
|
['1. XlogP :38 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :12 ', '5. Isotope Atom Count :N/A ', '6. TPSA 277 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :105 ', '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:
|
C13H28O3
|
|
Exact_Mass:
|
232.203842
|
|
Molecular_Structure:
|
['分子性质数据 ', '1 . Molar refractive index 6747 ', '2 . Molar volume (m3/mol)2625 ', '3 . Parachor (902K)6057 ', '4 . Surface tension 283 ', '5 . Polarizability (10 -24cm 3)2674']
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1 . Boiling point(ºC,Atmospheric pressure)122-124°C(lit) ', '2 . Density0872g/mLat 25°C(lit ', '3 . Refractive indexn20/D 1418(lit) ', '4 . Flash point(ºC)89']
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