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MF:
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C8H19NO2
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Density:
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1.0±0.1 g/cm3
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Computational_Chemistry:
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['1. XlogP :01 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 437 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :725 ', '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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−70 °C(lit.)
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More_Info:
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['1 . Appearance Colourless or Yellow Liquid ,微有氨味。 ', '2 . Density(g/mL,20/20℃)0986 ', '3 . Relative vapor density(g/mL,Atmosphere =1)55 ', '4 . Melting point(ºC)<−70 ', '5 . Boiling point(ºC,988KPa)273~275 ', '6 . Refractive index(20ºC)1462 ', '7 . Flash point(ºC,开口)118 ', '8 黏度(mPa·s,25ºC)55 ', '9 黏度(mPa·s,60ºC)106 ', '10 体膨胀系数(K-1)000077 ', '11 . Vapor pressure(mmHg,25ºC)1 ', '12 . Solubility Soluble in Water 甲醇 Ethanol Ethyl ether 丙酮芳香烃and 油酸等,Insoluble in 亚麻仁油棉子油矿物油and 石蜡等。']
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Exact_Mass:
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161.141586
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Flash_Point:
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126.7±0.0 °C
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Vapor_Pressure:
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0.0±1.3 mmHg at 25°C
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PSA:
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43.70000
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Molecular_Structure:
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['1 . Molar refractive index 4590 ', '2 . Molar volume 1628 ', '3 . Parachor (902K)4095 ', '4 . Surface tension 400 ', '5 . Dielectric constant ', '6 偶极距(10-24cm3)7 . Polarizability 1819']
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LogP:
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0.88
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Water_Solubility:
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miscible
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Vapor_Density:
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5.5 (vs air)
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Bolling_Point:
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279.1±15.0 °C at 760 mmHg
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FW:
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161.242
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Refractive_Index:
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1.476
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