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Bolling_Point:
|
180.2±13.0 °C at 760 mmHg
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|
LogP:
|
0.44
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|
More_Info:
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['1 . Appearance Yellow Liquid 2 . Density（ g/mL,25 ℃ ） 1126 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）-21- -22 ', '5 . Boiling point（ºC,Atmospheric pressure）181 ', '6 . Boiling point（ºC,01mmHg）Unknow ', '7 . Refractive index(n20/D)1536 8 . Flash point（ ºC ）544 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,60ºC）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 易Soluble in Water ']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 30 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :826 ', '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']
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|
Melting_Point:
|
-21--22°C
|
|
Vapor_Pressure:
|
0.9±0.3 mmHg at 25°C
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|
Exact_Mass:
|
107.037117
|
|
MF:
|
C6H5NO
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|
Density:
|
1.1±0.1 g/cm3
|
|
Refractive_Index:
|
1.573
|
|
Water_Solubility:
|
miscible
|
|
PSA:
|
29.96000
|
|
Flash_Point:
|
54.4±0.0 °C
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|
Molecular_Structure:
|
['1 . Molar refractive index 3109 ', '2 . Molar volume （m3/mol）943 ', '3 . Parachor （902K）2464 ', '4 . Surface tension :466 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1232']
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|
FW:
|
107.110
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