|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,20/4℃）09418 ', '3 液相标准声称热(焓)( kJ·mol-1)1003 ', '4 . Melting point（ºC）-31 ', '5 . Boiling point（ºC,Atmospheric pressure）1736 ', '6 常温. Refractive index（n20）158285 ', '7 . Refractive index1533 ', '8 . Flash point（ºC）44 ', '9 液相标准. Combustion heat(焓)(kJ·mol-1)-50710 ', '10 气相标准. Combustion heat(焓)(kJ·mol-1)-51212 ', '11 气相标准声称热(焓)( kJ·mol-1) 1505 ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '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']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :862 ', '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']
|
