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Molecular_Structure:
|
['1. Molar refractive index 6537 ', '2. Molar volume 2247 ', '3. Parachor （902K）5473 ', '4. Surface tension 351 ', '5. Dielectric constant N/A ', '6. Polarizability 2591 ', '7. Single isotope mass 22014633 Da ', '8. Nominal mass 220 Da ', '9. Average mass 2203074 Da']
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|
LogP:
|
3.35260
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|
Flash_Point:
|
113.8ºC
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|
Refractive_Index:
|
1.4946
|
|
FW:
|
220.30700
|
|
Density:
|
0.98g/cm3
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|
Bolling_Point:
|
305.5ºC at 760mmHg
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :183 ', '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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|
PSA:
|
26.30000
|
|
MF:
|
C14H20O2
|
|
More_Info:
|
['1 . Appearance Yellow or Colourless Liquid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，15mmHg）155 ', '7 . Refractive index(n20/D)14956 ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 Insoluble in Water ']
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|
Vapor_Pressure:
|
0.000817mmHg at 25°C
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|
Exact_Mass:
|
220.14600
|
