|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 3930 ', '2 . Molar volume （m3/mol）1026 ', '3 . Parachor （902K）3102 ', '4 . Surface tension 833 ', '5 . Polarizability 1557']
|
|
Flash_Point:
|
162.1±26.5 °C
|
|
Refractive_Index:
|
1.691
|
|
FW:
|
153.135
|
|
Density:
|
1.5±0.1 g/cm3
|
|
Bolling_Point:
|
344.4±37.0 °C at 760 mmHg
|
|
Melting_Point:
|
240 °C (dec.)(lit.)
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :9 ', '6. TPSA 836 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :160 ', '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:
|
1.19
|
|
Water_Solubility:
|
略溶于水
|
|
PSA:
|
83.55000
|
|
MF:
|
C7H7NO3
|
|
More_Info:
|
['一物性数据 ', '1 . Appearance White 粉末，略有丙酮气味 ', ' ', '2 . Melting point（℃）240 ', ' ', '3 . Solubility 几乎Insoluble in Water and 苯，微Soluble in Ethyl ether and 丙 ', ' ', '酮，稍Soluble in Ethanol ，Soluble in 碳酸氢钠or 磷酸溶液']
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Exact_Mass:
|
153.042587
|
