|
Refractive_Index:
|
1.4905-1.4925
|
|
Flash_Point:
|
90.7ºC
|
|
LogP:
|
1.19650
|
|
Bolling_Point:
|
226.4ºC at 760mmHg
|
|
FW:
|
129.20000
|
|
PSA:
|
46.25000
|
|
Computational_Chemistry:
|
['1 . XlogP 09 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 479 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 1 ', '9 . Complexity 85 ', '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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|
MF:
|
C7H15NO
|
|
Exact_Mass:
|
129.11500
|
|
Molecular_Structure:
|
['1. Molar refractive index 3748 ', '2. Molar volume 1281 ', '3. Parachor （902K）3203 ', '4. Surface tension 39 ', '5. Dielectric constant N/A ', '6. Polarizability 1486 ', '7. Single isotope mass 129115364Da ', '8. Nominal mass 129Da ', '9. Average mass 1292001Da']
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More_Info:
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['1 . Appearance Colourless 透明Liquid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）226 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,007mmHg）Unknow ', '7 . Refractive index(n20/D)14905-14925 ', '8 . Flash point（ºC）91 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,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）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Soluble in Water ']
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