Molecular_Structure:
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['1 . Molar refractive index 5986 ', '2 . Molar volume (m3/mol)2174 ', '3 . Parachor (902K)5367 ', '4 . Surface tension 371 ', '5 . Polarizability (10 -24cm 3)2373']
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Flash_Point:
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172.8±23.2 °C
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Refractive_Index:
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1.463
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FW:
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231.289
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Density:
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1.063±0.06 g/cm3
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Bolling_Point:
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362.1±25.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 24 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 756 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 245 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 1 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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LogP:
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2.69
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Water_Solubility:
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Slightly soluble (1.5 g/L) (25 ºC)
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PSA:
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75.63000
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MF:
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C11H21NO4
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More_Info:
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['1 . Appearance Colourless Liquid ', '2 . Density(g/mL, 25 ℃ )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,1mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '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 Unknow']
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Vapor_Pressure:
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0.0±1.7 mmHg at 25°C
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Exact_Mass:
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231.147064
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