More_Info:
|
['1 . Appearance Liquid 。 ', '2 . Density(g/mL,25/4℃)1601 ', '3 相对. Density(20℃,4℃)1703821 ', '4 . Melting point(ºC) -8 ', '5 . Boiling point(ºC,Atmospheric pressure)157 ', '6常温. Refractive index(n20)153170 ', '7 . Refractive index 15337 ', '8 . Flash point(ºC) 43 ', '9 气相标准熵(J·mol-1·K-1) 34974 ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)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。']
|
Molecular_Structure:
|
['1 . Molar refractive index 3393 ', '2 . Molar volume 1098 ', '3 . Parachor (902K)2648 ', '4 . Surface tension 338 ', '5 . Dielectric constant 不可用 ', '6 偶极距(10-24cm3)无可用 ', '7 . Polarizability 1345']
|
Computational_Chemistry:
|
['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :749 ', '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']
|