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Molecular_Structure:
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['1. Molar refractive index 5403 ', '2. Molar volume 1804 ', '3. Parachor （902K）4271 ', '4. Surface tension 313 ', '5. Dielectric constant N/A ', '6. Polarizability 2142 ', '7. Single isotope mass 175099714 Da ', '8. Nominal mass 175 Da ', '9. Average mass 175227 Da']
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LogP:
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3.08570
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Flash_Point:
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131ºC
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Refractive_Index:
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n20/D 1.526(lit.)
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FW:
|
175.22700
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Density:
|
1.008
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Bolling_Point:
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92ºC(3 torr)
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Computational_Chemistry:
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['1. XlogP :42 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 294 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :206 ', '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:
|
29.43000
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MF:
|
C11H13NO
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|
More_Info:
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['1 . Appearance Colourless Liquid ', '2 . Density（g/mL,25℃）1008 ', '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，3mmHg）92 ', '7 . Refractive index(n20/D)1526 ', '8 . Flash point（ºC）103 ', '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 可Water 解']
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Vapor_Pressure:
|
0.0326mmHg at 25°C
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|
Exact_Mass:
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175.10000
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