|
FW:
|
99.088
|
|
MF:
|
C4H5NO2
|
|
Water_Solubility:
|
54 g/L (20 ºC)
|
|
Refractive_Index:
|
1.402
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
|
Bolling_Point:
|
208.0±8.0 °C at 760 mmHg
|
|
Exact_Mass:
|
99.032028
|
|
PSA:
|
50.09000
|
|
Vapor_Density:
|
3.41 (vs air)
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 501 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :110 ', '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']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2226 ', '2 . Molar volume 914 ', '3 . Parachor （902K）2243 ', '4 . Surface tension 362 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 882']
|
|
LogP:
|
-0.47
|
|
Melting_Point:
|
-13 °C
|
|
Flash_Point:
|
86.5±5.2 °C
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless to 微Yellow 透明Liquid ，可燃。微有芳香味。 ', '2 . Density（g/mL,25/4℃）11225 ', '3 . Relative vapor density（g/mL,Atmosphere =1）341 ', '4 . Melting point（ºC）-1307 ', '5 . Boiling point（ºC,Atmospheric pressure）20509 ', '6 . Refractive index（25ºC）141662 ', '7 黏度（mPa·s,20ºC）2793 ', '8 . Flash point（ºC）110 ', '9 . Spontaneous ignition point or ignition temperature（ºC）475 ', '10 蒸发热（KJ/mol,25ºC）61713 ', '11 . Combustion heat（KJ/mol,25ºC）19921 ', '12 电导率（S/m）449×10-7 ', '13 . Solubility 微Soluble in Water ，能与醇醚相混溶。能溶解多种盐类。']
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