|
Refractive_Index:
|
1.560
|
|
Vapor_Pressure:
|
0.0±0.9 mmHg at 25°C
|
|
Flash_Point:
|
182.3±20.4 °C
|
|
LogP:
|
-1.30
|
|
Bolling_Point:
|
380.6±0.0 °C at 760 mmHg
|
|
PSA:
|
32.86000
|
|
Molecular_Structure:
|
['1. Molar refractive index 2574 ', '2. Molar volume 855 ', '3. Parachor （902K）2092 ', '4. Surface tension 357 ', '5. Dielectric constant N/A ', '6. Polarizability 102 ', '7. Single isotope mass 95037114 Da ', '8. Nominal mass 95 Da ', '9. Average mass 950993 Da']
|
|
Computational_Chemistry:
|
['1 . XlogP -13 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 291 ', '7 . Heavy Atom Count 7 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 121 ', '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:
|
150-151 °C(lit.)
|
|
MF:
|
C5H5NO
|
|
Exact_Mass:
|
95.037117
|
|
FW:
|
95.099
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 米色粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）140-147 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,12mmHg）230-235 ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）221 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,265ºC）Unknow ', '12 . Saturated vapor pressure（kPa,83-85ºC）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']
|
