|
Refractive_Index:
|
1.531
|
|
Vapor_Pressure:
|
0.1±0.5 mmHg at 25°C
|
|
Flash_Point:
|
99.8±27.3 °C
|
|
LogP:
|
0.20
|
|
Bolling_Point:
|
232.1±13.0 °C at 760 mmHg
|
|
PSA:
|
32.86000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3071 ', '2 . Molar volume （m3/mol）992 ', '3 . Parachor （902K）2520 ', '4 . Surface tension 415 ', '5 . Dielectric constant 不可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1217']
|
|
Computational_Chemistry:
|
['1. XlogP :04 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :5 ', '6. TPSA 329 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :101 ', '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:
|
115-117°C
|
|
MF:
|
C6H7NO
|
|
Exact_Mass:
|
109.052765
|
|
FW:
|
109.126
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Unknow。 ', '2 . Density（g/mL,25℃）1099 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）115-117 ', '5 . Boiling point（ºC,Atmospheric pressure）220 ', '6 . Boiling point（ºC,745mmHg）Unknow ', '7 . Refractive index(n 20/D) Unknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）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 Unknow']
|
