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MF:
|
C8H8O5
|
|
Water_Solubility:
|
SOLUBLE IN HOT WATER
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Bolling_Point:
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450.1±40.0 °C at 760 mmHg
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Exact_Mass:
|
184.037170
|
|
More_Info:
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['1 . Appearance 单斜棱状结晶（甲醇）。 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）201-203 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,985KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,119ºC）Unknow ', '12 . Saturated vapor pressure（kPa, 1193ºC）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 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Soluble in 热Water Ethanol Ethyl ether 。']
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Melting_Point:
|
201-204 °C
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PSA:
|
86.99000
|
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Flash_Point:
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190.8±20.8 °C
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Refractive_Index:
|
1.631
|
|
Density:
|
1.5±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4367 ', '2 . Molar volume 1226 ', '3 . Parachor （902K）3571 ', '4 . Surface tension 719 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1731']
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :14 ', '6. TPSA 87 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :181 ', '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:
|
184.146
|
|
LogP:
|
1.54
|
|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
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