|
FW:
|
163.25900
|
|
Refractive_Index:
|
1.534
|
|
Vapor_Pressure:
|
0.0139mmHg at 25°C
|
|
Flash_Point:
|
109.7ºC
|
|
LogP:
|
3.36170
|
|
Bolling_Point:
|
258.3ºC at 760mmHg
|
|
More_Info:
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['1 . Appearance 浅Yellow 油状物，微有氨味。 ', '2 . Density（g/mL,20/4℃）092 ', '3 . Boiling point（ºC,Atmospheric pressure）260~262 ', '4 . Refractive index（20ºC）15285 ', '5 . Flash point（ºC,开口）107 ', '6 . Vapor pressure（kPa,130ºC）147 ', '7 . Solubility Insoluble in Water ，Soluble in 甲醇 Ethanol Ethyl ether 丙酮乙酸乙酯烃类and 油酸等。']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 12 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :952 ', '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:
|
C11H17N
|
|
Exact_Mass:
|
163.13600
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5439 ', '2 . Molar volume 1749 ', '3 . Parachor （902K）4253 ', '4 . Surface tension 349 ', '5 . Polarizability 2156']
|
|
Density:
|
0.933g/cm3
|
|
PSA:
|
12.03000
|
