|
Refractive_Index:
|
1.523
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|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
113.5±30.4 °C
|
|
LogP:
|
0.83
|
|
Bolling_Point:
|
269.8±0.0 °C at 760 mmHg
|
|
FW:
|
167.205
|
|
PSA:
|
44.48000
|
|
Computational_Chemistry:
|
['1 . XlogP 07 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 445 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 130 ', '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']
|
|
MF:
|
C9H13NO2
|
|
Exact_Mass:
|
167.094635
|
|
Molecular_Structure:
|
['1. Molar refractive index 4806 ', '2. Molar volume 1574 ', '3. Parachor (902K)3864 ', '4. Surface tension 363 ', '5. Dielectric constant N/A ', '6. Polarizability 1905 ', '7. Single isotope mass 167094629Da ', '8. Nominal mass 167Da ', '9. Average mass 167205Da']
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|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density(g/mLat 25°C)113 ', '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,11mmHg)137 ', '7 . Refractive index(n20/D)154 ', '8 . Flash point(ºC)>110 ', '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,1144 ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(MPa)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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