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MF:
|
C8H8O4
|
|
Bolling_Point:
|
418.4±30.0 °C at 760 mmHg
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|
Exact_Mass:
|
168.042252
|
|
More_Info:
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['1 . Appearance 带White 粉末。 ', '2 . Density（g/mL,25℃）1478 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）128~132 ', '5 . Boiling point（ºC,Atmospheric pressure）4184 ', '6 . Boiling point（ºC, kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）221 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
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|
Melting_Point:
|
127-130 °C(lit.)
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|
PSA:
|
77.76000
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Flash_Point:
|
221.0±21.1 °C
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Refractive_Index:
|
1.643
|
|
Density:
|
1.5±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4112 ', '2 . Molar volume 1137 ', '3 . Parachor （902K）3356 ', '4 . Surface tension 758 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1630']
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :28 ', '6. TPSA 778 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :168 ', '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']
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|
FW:
|
168.147
|
|
LogP:
|
0.17
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
