|
Refractive_Index:
|
1.463
|
|
Vapor_Pressure:
|
0.0±0.9 mmHg at 25°C
|
|
Flash_Point:
|
90.3±22.6 °C
|
|
LogP:
|
0.73
|
|
Bolling_Point:
|
225.8±23.0 °C at 760 mmHg
|
|
FW:
|
131.173
|
|
More_Info:
|
['1 . Appearance Colourless 片状结晶。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）285（闭管） ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '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 Soluble in Water 。']
|
|
Computational_Chemistry:
|
['1. XlogP -17 ', '2. Hydrogen Bond Donor Count 2 ', '3. Hydrogen Bond Acceptor Count 3 ', '4. Rotatable Bond Count 3 ', '5. Isotope Atom Count N/A ', '6. TPSA 633 ', '7. Heavy Atom Count 9 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 103 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 2 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
-285ºC (dec.)
|
|
MF:
|
C6H13NO2
|
|
Exact_Mass:
|
131.094635
|
|
Molecular_Structure:
|
['1. Molar refractive index 3486 ', '2. Molar volume 1266 ', '3. Parachor （902K）3164 ', '4. Surface tension 39 ', '5. Dielectric constant N/A ', '6. Polarizability 1382 ', '7. Single isotope mass 131094629 Da ', '8. Nominal mass 131 Da ', '9. Average mass 1311729 Da']
|
|
Density:
|
1.0±0.1 g/cm3
|
|
PSA:
|
63.32000
|
