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Water_Solubility:
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20 g/L (20 ºC)
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Bolling_Point:
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218.2±8.0 °C at 760 mmHg
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Molecular_Structure:
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['1 . Molar refractive index 3733 ', '2 . Molar volume 1197 ', '3 . Parachor （902K）3006 ', '4 . Surface tension 396 ', '5 . Polarizability 1480']
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LogP:
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1.36
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More_Info:
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['1 . Appearance Colourless Liquid ，具微弱玫瑰香味。 ', '2 . Boiling point（ºC,1013kPa）2182 ', '3 . Boiling point（ºC,133kPa）219~221(100kpa) ', '4 . Melting point（ºC）-27 ', '5 相对. Density(d254) 1023 ', '6 . Refractive index（n20ºC）15325 ', '7 黏度（mPa·s,25ºC）758 ', '8 黏度（mPa·s,50ºC）319 ', '9 . Flash point（ºC）1022 ', '10 . Vapor pressure（kPa,58ºC）01333 ', '11 . Relative vapor density（g/mL,Atmosphere =1）422 ', '12 . Solubility 可Soluble in Water ，与 Ethanol Ethyl ether and 甘油任意混溶，在Water 中的溶解度是1:50。 ', '13 相对. Density（20℃，4℃）10202 ', '14 相对. Density（25℃，4℃）10162 ', '15 常温. Refractive index（n25）15305 ', '16 液相标准热熔(J·mol-1·K-1)2321']
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MF:
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C8H10O
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Computational_Chemistry:
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['1 计. XlogP 14 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 202 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 65 ', '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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−27 °C(lit.)
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Refractive_Index:
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1.536
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PSA:
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20.23000
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Flash_Point:
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102.2±0.0 °C
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FW:
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122.164
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Exact_Mass:
|
122.073166
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Vapor_Density:
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4.21 (vs air)
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Vapor_Pressure:
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0.1±0.5 mmHg at 25°C
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Density:
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1.0±0.1 g/cm3
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