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Molecular_Structure:
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['1 . Molar refractive index 4556 ', '2 . Molar volume 1450 ', '3 . Parachor （902K）3683 ', '4 . Surface tension 415 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1806']
|
|
LogP:
|
1.12
|
|
Flash_Point:
|
131.8±11.0 °C
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|
Refractive_Index:
|
1.541
|
|
FW:
|
151.206
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Bolling_Point:
|
285.1±15.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 323 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :896 ', '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']
|
|
Water_Solubility:
|
MISCIBLE
|
|
PSA:
|
32.26000
|
|
MF:
|
C9H13NO
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）1065 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,12mmHg）153-156 ', '7 . Refractive index1543 ', '8 . Flash point（ºC）130 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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']
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Exact_Mass:
|
151.099716
|
