Molecular_Structure:
|
['1 . Molar refractive index 3294 ', '2 . Molar volume (m3/mol)1197 ', '3 . Parachor (902K)3093 ', '4 . Surface tension : 446 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10 -24cm 3)无可用 ', '7 . Polarizability 1306']
|
Computational_Chemistry:
|
['1 . XlogP 08 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 4 ', '5 . TPSA 604 ', '6 . Heavy Atom Count 9 ', '7 . Topological Polar Surface Area -1 ', '8 . Complexity 749 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
More_Info:
|
['1 . Appearance Colourless 粘性Liquid ', '2 . Density(g/cm3,25℃)0981 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)38-40 ', '5 . Boiling point(ºC,Atmospheric pressure)113-116 ', '6 . Boiling point(ºC,752mmHg)Unknow ', '7 . Refractive index(n20/D)144 ', '8 . Flash point(ºC)>110 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(psi,20ºC)Unknow ', '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']
|