|
Computational_Chemistry:
|
['1. XlogP :47 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :712 ', '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 ，微有 Ethyl ether 气味。 ', '2 . Boiling point（ºC,1013kPa）2257 ', '3 . Boiling point（ºC,667kPa）136 ', '4 . Boiling point（ºC,133kPa）100 ', '5 . Melting point（ºC）-430 ', '6 相对. Density（g/mL,20/20ºC）07942 ', '7 相对. Density（g/mL,20/4ºC）07932 ', '8 . Relative vapor density（g/mL,Atmosphere =1）64 ', '9 . Refractive index（n20ºC）14207 ', '10 黏度（mPa·s,20ºC）168 ', '11 . Flash point（ºC,开口）767 ', '12 燃点（ºC）1872 ', '13 . Vapor pressure（kPa,20ºC）00093 ', '14 . Lower limit of explosion（%,V/V）06 ', '15 体膨胀系数（K-1）000096 ', '16 . Solubility 微Soluble in Water ，能与多种有机溶剂混溶。20℃时在Water 中溶解001%；Water 在己醚中溶解012%。 ', '17 相对. Density（25℃，4℃）07894 ', '18 常温. Refractive index（n25）14187']
|
