|
MF:
|
C12H24O
|
|
Bolling_Point:
|
218.9ºC at 760mmHg
|
|
Exact_Mass:
|
184.18300
|
|
More_Info:
|
['1 . Appearance Colourless Liquid ，有Water 果香味。 ', '2 . Boiling point（ºC,1013kPa）211~219 ', '3 . Melting point（ºC）-75 ', '4 . Density（g/mL,20ºC）08165 ', '5 . Relative vapor density（g/mL,Atmosphere =1）637 ', '6 . Refractive index（20ºC）14273 ', '7 . Flash point（ºC,开口）91 ', '8 黏度（mPa·s,20ºC）191 ', '9 . Solubility Insoluble in Water ，能与醇醚等相混溶。']
|
|
Melting_Point:
|
-75ºC
|
|
Refractive_Index:
|
1.425
|
|
PSA:
|
17.07000
|
|
Flash_Point:
|
63.1ºC
|
|
Density:
|
0.819g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5754 ', '2 . Molar volume 2248 ', '3 . Parachor （902K）5067 ', '4 . Surface tension 257 ', '5 . Polarizability 2281']
|
|
Computational_Chemistry:
|
['1. XlogP :38 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :147 ', '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']
|
|
FW:
|
184.31800
|
|
LogP:
|
3.67390
|
|
Vapor_Pressure:
|
0.123mmHg at 25°C
|
