|
Bolling_Point:
|
513.7±50.0 °C at 760 mmHg
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|
LogP:
|
-0.75
|
|
More_Info:
|
['1 . Appearance White 菱形结晶。其结构式有龙胆紫醇and 苯甲酸。 ', '2 . Melting point（ºC）111 ', '3 旋光度-62°(氯仿)。 ', '4 . Solubility Soluble in Water and 一般有机溶剂 Ethyl ether 乙酸乙酯乙酸戊酯等。 ', '5 . Boiling point（ºC）5137 ', '6 . Flash point（ºC）2268 ', '7 相对. Density(d204) 152 ', '8 . Refractive index(n20D)1603']
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Computational_Chemistry:
|
['1. XlogP :-1 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 558 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :264 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
Melting_Point:
|
108-111 °C
|
|
Vapor_Pressure:
|
0.0±3.0 mmHg at 25°C
|
|
Exact_Mass:
|
154.026611
|
|
MF:
|
C7H6O4
|
|
Density:
|
1.5±0.1 g/cm3
|
|
Refractive_Index:
|
1.603
|
|
PSA:
|
55.76000
|
|
Flash_Point:
|
226.8±23.6 °C
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 3484 ', '2 . Molar volume 1013 ', '3 . Parachor （902K）2798 ', '4 . Surface tension 580 ', '5 . Polarizability 1380']
|
|
FW:
|
154.120
|
