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Molecular_Structure:
|
['1. Molar refractive index 3478 ', '2. Molar volume 1123 ', '3. Parachor （902K）2822 ', '4. Surface tension 398 ', '5. Dielectric constant N/A ', '6. Polarizability 1378 ', '7. Single isotope mass 119073499Da ', '8. Nominal mass 119Da ', '9. Average mass 1191638Da']
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|
Flash_Point:
|
65.6±0.0 °C
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|
Refractive_Index:
|
1.532
|
|
FW:
|
119.164
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Bolling_Point:
|
205.2±0.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1 . XlogP 14 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count ', '6 . TPSA 238 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 196 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 3 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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|
LogP:
|
1.15
|
|
Melting_Point:
|
12-14 °C(lit.)
|
|
PSA:
|
23.79000
|
|
MF:
|
C8H9N
|
|
More_Info:
|
['1 . Appearance Colourless 透明Liquid ', '2 . Density（g/mL,25℃）0999 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）12-14 ', '5 . Boiling point（ºC,Atmospheric pressure）82-86 ', '6 . Boiling point（ºC,23mmHg）Unknow ', '7 . Refractive index(n20/D)1488（lit） ', '8 . Flash point（ºF）150 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,40ºC）Unknow ', '12 . Saturated vapor pressure（kPa,125ºC）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:
|
0.3±0.4 mmHg at 25°C
|
|
Exact_Mass:
|
119.073502
|
