|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 5776 ', '2 . Molar volume （m3/mol）1938 ', '3 . Parachor （902K）4849 ', '4 . Surface tension 391 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 2289']
|
|
LogP:
|
2.49720
|
|
Flash_Point:
|
72 °F
|
|
Refractive_Index:
|
n20/D 1.5080(lit.)
|
|
FW:
|
208.25700
|
|
Density:
|
1.041 g/mL at 25ºC(lit.)
|
|
Bolling_Point:
|
130ºC0.5 mm Hg(lit.)
|
|
Computational_Chemistry:
|
['1 . XlogP 14 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 512 ', '7 . Heavy Atom Count 15 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 211 ', '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']
|
|
PSA:
|
51.22000
|
|
MF:
|
C11H16N2O2
|
|
More_Info:
|
['1 . Appearance Solid ', '2 . Density（g/mL,25ºC）1041 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，05mmHg）130 ', '7 . Refractive indexn 20/D 15080(lit) ', '8 . Flash point（°C）222 ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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']
|
|
Vapor_Pressure:
|
0mmHg at 25°C
|
|
Exact_Mass:
|
208.12100
|
