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Vapor_Pressure:
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2.91E-06mmHg at 25°C
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LogP:
|
1.10760
|
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PSA:
|
75.99000
|
|
Molecular_Structure:
|
['1. Molar refractive index 4842 ', '2. Molar volume 1483 ', '3. Parachor （902K）3977 ', '4. Surface tension 516 ', '5. Dielectric constant N/A ', '6. Polarizability 1919 ', '7. Single isotope mass 198052823Da ', '8. Nominal mass 198Da ', '9. Average mass 1981727Da']
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Computational_Chemistry:
|
['1 . XlogP 1 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 76 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 205 ', '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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|
Melting_Point:
|
197-198°C
|
|
MF:
|
C9H10O5
|
|
Exact_Mass:
|
198.05300
|
|
FW:
|
198.17300
|
|
More_Info:
|
['1 . Appearance Solid ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）197-198 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，20mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,40ºC）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 难Soluble in Water 的']
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