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MF:
|
C9H7ClO3
|
|
Bolling_Point:
|
347.0±42.0 °C at 760 mmHg
|
|
Exact_Mass:
|
198.008377
|
|
More_Info:
|
['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）129 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）221 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index1523 ', '8 . Flash point（ºC）>113 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
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|
PSA:
|
43.37000
|
|
Flash_Point:
|
163.7±27.9 °C
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|
Refractive_Index:
|
1.613
|
|
Density:
|
1.4±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4724 ', '2 . Molar volume （m3/mol）1516 ', '3 . Parachor （902K）3943 ', '4 . Surface tension 456 ', '5 . Dielectric constant 200 ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1873']
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|
Computational_Chemistry:
|
['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 434 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :187 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '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:
|
198.603
|
|
LogP:
|
1.04
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
