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Molecular_Structure:
|
['1 . Molar refractive index 1641 ', '2 . Molar volume 598 ', '3 . Parachor （902K）1625 ', '4 . Surface tension 544 ', '5 . Polarizability 650']
|
|
Flash_Point:
|
99.5±22.6 °C
|
|
Refractive_Index:
|
1.461
|
|
FW:
|
75.067
|
|
Density:
|
1.3±0.1 g/cm3
|
|
Bolling_Point:
|
240.9±23.0 °C at 760 mmHg
|
|
Melting_Point:
|
240 °C (dec.)(lit.)
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 633 ', '7. Heavy Atom Count :5 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :429 ', '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:
|
-1.03
|
|
Water_Solubility:
|
25 g/100 mL (25 ºC)
|
|
PSA:
|
63.32000
|
|
MF:
|
C2H5NO2
|
|
More_Info:
|
['1 . Appearance White 单斜晶系or 六方晶系晶体，or White 结晶粉末。无臭，有特殊甜味。 ', '2 . Density（g/mL,20/4ºC）11607 ', '3 . Melting point（ºC）290 ', '4 . Refractive index15370 ', '5 . Vapor pressure（kPa,,20ºC）5×10-6kPa ', '6 溶解度（%,0ºC,Water ）1418 ', '7 溶解度（%,25ºC,Water ）2499 ', '8 溶解度（%,50ºC,Water ）3910 ', '9 溶解度（%,75ºC,Water ）5439 ', '10 溶解度（%,100ºC,Water ）6717 ', '11 . Solubility Soluble in Water ，微Soluble in 吡啶，在Water 中的溶解度25℃时为25g/100ml；50℃时391g/100ml；75℃时为544g/100ml；100℃时为672g/100ml。极难Soluble in Ethanol ，在100g无Water Ethanol 中约溶解006g。几乎Insoluble in 丙酮and Ethyl ether 。Insoluble in 有机溶剂。与盐酸反应生成氢氯化合物。']
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
|
Exact_Mass:
|
75.032028
|
