|
Refractive_Index:
|
1.548
|
|
Flash_Point:
|
91°C
|
|
LogP:
|
2.58150
|
|
Bolling_Point:
|
220°C
|
|
FW:
|
135.20600
|
|
More_Info:
|
['1 . Appearance 浅Yellow Liquid 。 ', '2 . Density（g/mL,20/4℃）095 ', '3 . Boiling point（ºC,Atmospheric pressure）220 ', '4 . Refractive index（20ºC）1542 ', '5 . Flash point（ºC）91 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Solubility 能与 Ethanol Ethyl ether 相混溶，Insoluble in Water 。']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 12 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :748 ', '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:
|
C9H13N
|
|
Exact_Mass:
|
135.10500
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4512 ', '2 . Molar volume 1419 ', '3 . Parachor （902K）3457 ', '4 . Surface tension 352 ', '5 . Polarizability 1789']
|
|
Density:
|
0,95 g/cm3
|
|
PSA:
|
12.03000
|
