|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 202 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :806 ', '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']
|
|
More_Info:
|
['1 . Appearance Colourless Liquid 。有苯酚气味。 ', '2 . Density（g/mL,25/4℃） 101459 ', '3 相对. Density（20℃，4℃）1035 ', '4 . Melting point（ºC） 18 ', '5 . Boiling point（ºC,Atmospheric pressure） 2045 ', '6常温. Refractive index（n20）15370 ', '7 常温. Refractive index（n25）15352 ', '8 气相标准. Combustion heat(焓)(kJ·mol-1)-44320 ', '9 气相标准声称热(焓)( kJ·mol-1) -1452 ', '10 液相标准. Combustion heat(焓)(kJ·mol-1)-43684 ', '11 液相标准声称热(焓)( kJ·mol-1)-2088 ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）42985 ', '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 易Soluble in Ethanol 醚苯冰乙酸，几乎Insoluble in Water 。冷却to -30℃时，能析出亚稳性结晶。 ', '20. Flash point（ºC）78']
|
