Computational_Chemistry:
|
['1. XlogP :35 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :110 ', '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Water 果香气,并有菠萝苹果样的香韵and 白兰地的酒香味。 ', '2 . Density(g/mL,25℃)0866 ', '3 相对. Density(20℃,4℃)08667 ', '4 . Melting point(ºC)-431 ', '5 . Boiling point(ºC,Atmospheric pressure)206~208 ', '6 相对. Density(25℃,4℃)08624 ', '7 . Refractive index(n20D)14175 ', '8 . Flash point(ºC)75 ', '9 常温. Refractive index(n25)14158 ', '10 . Spontaneous ignition point or ignition temperature(ºC): Unknow ', '11 . Vapor pressure(mmHg,25ºC)002 ', '12 . Saturated vapor pressure(kPa, ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)37585 ', '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 Insoluble in Water and 丙二醇,易Soluble in Ethanol Ethyl ether 氯仿。']
|