|
Refractive_Index:
|
1.594
|
|
Vapor_Pressure:
|
0.00662mmHg at 25°C
|
|
Flash_Point:
|
>230 °F
|
|
LogP:
|
1.96380
|
|
Bolling_Point:
|
166 °C14 mm Hg(lit.)
|
|
PSA:
|
29.10000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3604 ', '2 . Molar volume 1062 ', '3 . Parachor （902K）2750 ', '4 . Surface tension 449 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1429']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 291 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :869 ', '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']
|
|
Melting_Point:
|
46-48 °C(lit.)
|
|
MF:
|
C7H7NO
|
|
Exact_Mass:
|
121.05300
|
|
FW:
|
121.13700
|
|
Density:
|
1.144 g/mL at 25 °C(lit.)
|
|
More_Info:
|
['1 . Appearance 单斜棱柱结晶 ', '2 . Density（g/mL,20℃）1112 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）50 ', '5 . Boiling point（ºC,Atmospheric pressure）271 ', '6 . Boiling point（ºC, 16kpa）216 ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '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 易Soluble in Ethanol ，Soluble in Ethyl ether 。']
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