|
Molecular_Structure:
|
['1 . Molar refractive index 2205 ', '2 . Molar volume 777 ', '3 . Parachor （902K）1991 ', '4 . Surface tension 430 ', '5 . Polarizability 874']
|
|
Flash_Point:
|
104.1±22.6 °C
|
|
Refractive_Index:
|
1.606
|
|
FW:
|
99.088
|
|
Density:
|
1.5±0.1 g/cm3
|
|
Bolling_Point:
|
248.4±23.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :-1 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :5 ', '6. TPSA 462 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :105 ', '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']
|
|
LogP:
|
-1.63
|
|
Melting_Point:
|
123-125 °C(lit.)
|
|
PSA:
|
46.17000
|
|
MF:
|
C4H5NO2
|
|
More_Info:
|
['1 . Appearance White 斜方针状or 片状结晶。几乎无气味。味甜。 ', '2 . Melting point（℃）123~125 ', '3 . Boiling point（℃，稍分解）285~290 ', '4 相对. Density(d254)1418 ', '5 . Solubility 1g Product Soluble in 3ml冷Water 07ml沸Water 24ml Ethanol 5ml60℃的 Ethanol ，Insoluble in Ethyl ether and 氯仿。 ', '6 . Flash point（ºC）201']
|
|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
|
Exact_Mass:
|
99.032028
|
