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Molecular_Structure:
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['1. Molar refractive index 4468 ', '2. Molar volume 1422 ', '3. Parachor （902K）3637 ', '4. Surface tension 427 ', '5. Dielectric constant N/A ', '6. Polarizability 1771 ', '7. Single isotope mass 166062994 Da ', '8. Nominal mass 166 Da ', '9. Average mass 1661739 Da']
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LogP:
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2.42
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Flash_Point:
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114.2±15.3 °C
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Refractive_Index:
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1.541
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FW:
|
166.174
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Density:
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1.2±0.1 g/cm3
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Bolling_Point:
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285.3±20.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 19 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count 4 ', '6 . TPSA 668 ', '7 . Heavy Atom Count 13 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 169 ', '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:
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177-181 °C(lit.)
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PSA:
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46.53000
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MF:
|
C9H10O3
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More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）177-181 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,01mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 Unknow']
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|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
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|
Exact_Mass:
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166.062988
|
