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Molecular_Structure:
|
['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 179962154 Da ', '8. Nominal mass 180 Da ', '9. Average mass 1800466 Da']
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Flash_Point:
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26ºC
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|
Refractive_Index:
|
1.599-1.602
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|
FW:
|
180.04700
|
|
Bolling_Point:
|
139-140ºC
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 2 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :-1 ', '9. Complexity :216 ', '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 :4']
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|
LogP:
|
0.60550
|
|
Melting_Point:
|
-22ºC
|
|
MF:
|
C7H5CoO2
|
|
More_Info:
|
['1 . Appearance 暗红色Liquid 。 ', '2 . Density（g/mL,18℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）-22 ', '5 . Boiling point（ºC,Atmospheric pressure）139-140 ', '6 . Boiling point（ºC，1mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）27 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 与一般有机溶剂混溶']
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Exact_Mass:
|
179.96200
|
