|
Refractive_Index:
|
1.557
|
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
Flash_Point:
|
148.9±18.0 °C
|
|
LogP:
|
0.54
|
|
Bolling_Point:
|
299.1±19.0 °C at 760 mmHg
|
|
PSA:
|
54.37000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4202 ', '2 . Molar volume 1305 ', '3 . Parachor （902K）3502 ', '4 . Surface tension : 520 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1666']
|
|
Computational_Chemistry:
|
['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :2 ', '6. TPSA 544 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :180 ', '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']
|
|
Melting_Point:
|
150-154 °C(lit.)
|
|
MF:
|
C9H8O3
|
|
Exact_Mass:
|
164.047348
|
|
FW:
|
164.158
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance White 结晶。 ', '2. Melting point（ºC）150~154 ', '3. Solubility Soluble in 醇醚苯等溶剂。 ', '4 . Boiling point（ºC）2991 ', '5 . Flash point（ºC）1489 ', '6 相对. Density(d204) 1257']
|
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