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Molecular_Structure:
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['1. Molar refractive index 2949 ', '2. Molar volume 939 ', '3. Parachor （902K）2639 ', '4. Surface tension 622 ', '5. Dielectric constant N/A ', '6. Polarizability 1169 ', '7. Single isotope mass 131058243Da ', '8. Nominal mass 131Da ', '9. Average mass 1311299Da']
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Flash_Point:
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168.6±27.9 °C
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Refractive_Index:
|
1.540
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FW:
|
131.130
|
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Density:
|
1.4±0.1 g/cm3
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Bolling_Point:
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355.2±42.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1 . XlogP -25 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count ', '6 . TPSA 77 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 120 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 2 ', '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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|
LogP:
|
-1.66
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|
Melting_Point:
|
235ºC
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|
PSA:
|
69.56000
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|
MF:
|
C5H9NO3
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|
More_Info:
|
['1 . Appearance White or 浅米色粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）235 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,1mmHg）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（mPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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）10 ', '18 . Lower limit of explosion（%,V/V）6 ', '19 . Solubility Unknow']
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|
Vapor_Pressure:
|
0.0±1.8 mmHg at 25°C
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|
Exact_Mass:
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131.058243
|
