|
FW:
|
159.228
|
|
MF:
|
C11H13N
|
|
Refractive_Index:
|
1.553
|
|
Vapor_Pressure:
|
0.1±0.4 mmHg at 25°C
|
|
Bolling_Point:
|
228-229 ºC (744 mmHg)
|
|
Exact_Mass:
|
159.104797
|
|
PSA:
|
12.36000
|
|
Computational_Chemistry:
|
['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 124 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :215 ', '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']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5117 ', '2 . Molar volume 1599 ', '3 . Parachor （902K）3815 ', '4 . Surface tension 323 ', '5 . Dielectric constant （F/m）无可用 ', '6 . Polarizability 202']
|
|
LogP:
|
1.77
|
|
Melting_Point:
|
6-8°C
|
|
Flash_Point:
|
93.3±0.0 °C
|
|
Density:
|
0.992
|
|
More_Info:
|
['1 . Appearance 橙Yellow Liquid 。 ', '2 . Density（g/mL,25/4℃） 0992 ', '3 液相标准. Combustion heat(焓)(kJ·mol-1)-546702 ', '4 . Melting point（ºC）6-8 ', '5 . Boiling point（ºC,Atmospheric pressure）228-229 ', '6 液相标准声称热(焓)( kJ·mol-1)-25351 ', '7 . Refractive index 1549 ', '8 . Flash point（ºC） 93 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-550426 ', '10气相标准声称热(焓)( kJ·mol-1)-21627 ', '11气相标准熵(J·mol-1·K-1) 42714 ', '12气相标准生成自由能( kJ·mol-1)208 ', '13气相标准热熔(J·mol-1·K-1)18702 ', '14 液相标准热熔(J·mol-1·K-1)24556 ', '15 . Critical pressure（KPa） Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V） Unknow ', '19 . Solubility Unknow']
|
