|
Refractive_Index:
|
1.455
|
|
Vapor_Pressure:
|
0.0±1.8 mmHg at 25°C
|
|
Flash_Point:
|
177.4±23.2 °C
|
|
LogP:
|
-1.07
|
|
Bolling_Point:
|
369.7±25.0 °C at 760 mmHg
|
|
PSA:
|
66.40000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2726 ', '2 . Molar volume 930 ', '3 . Parachor （902K）2602 ', '4 . Surface tension 612 ', '5 . Polarizability 1080']
|
|
Computational_Chemistry:
|
['1 . XlogP -09 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 664 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 132 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 1 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
125-126°C
|
|
MF:
|
C5H9NO3
|
|
Exact_Mass:
|
131.058243
|
|
FW:
|
131.130
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['. Appearance White Solid 。 . Density（g/mL,20℃）Unknow . Relative vapor density（g/mL,Atmosphere =1）Unknow . Melting point（ºC）125-126 . Boiling point（ºC,Atmospheric pressure）Unknow . Boiling point（ºC, KPa）Unknow . Refractive indexUnknow . Flash point（ºC）Unknow . Specific rotation（º）Unknow . Spontaneous ignition point or ignition temperature（ºC）: Unknow . Vapor pressure（mmHg,ºC）Unknow . Saturated vapor pressure（kPa, ºC）Unknow . Combustion heat（KJ/mol）Unknow . Critical temperature（ºC）Unknow . Critical pressure（KPa）Unknow . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow . Upper limit of explosion（%,V/V）Unknow . Lower limit of explosion（%,V/V）Unknow . Solubility Unknow']
|
