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Molecular_Structure:
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['分子性质数据 ', '1 . Molar refractive index 3459 ', '2 . Molar volume （m3/mol）1339 ', '3 . Parachor （902K）3257 ', '4 . Surface tension 349 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1371']
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LogP:
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-0.21
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Flash_Point:
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57.6±27.7 °C
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Refractive_Index:
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1.430
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FW:
|
131.173
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Density:
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1.0±0.1 g/cm3
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Bolling_Point:
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168.8±15.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :-05 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 445 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :103 ', '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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|
PSA:
|
44.48000
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MF:
|
C6H13NO2
|
|
More_Info:
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['. Appearance Unknow ', '2 . Density（g/mL,25℃）1012 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,14mmHg）147-148 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexn20/D 1438 ', '8 . Flash point（ºC）68 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,25ºC）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:
|
1.6±0.3 mmHg at 25°C
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|
Exact_Mass:
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131.094635
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