|
Refractive_Index:
|
1.703
|
|
Vapor_Pressure:
|
0.0±0.9 mmHg at 25°C
|
|
Flash_Point:
|
177.7±27.9 °C
|
|
LogP:
|
3.35
|
|
Bolling_Point:
|
370.2±42.0 °C at 760 mmHg
|
|
Water_Solubility:
|
0.04 g/L (20 ºC)
|
|
PSA:
|
70.42000
|
|
Molecular_Structure:
|
['1. Molar refractive index 5582 ', '2. Molar volume 144 ', '3. Parachor （902K）420 ', '4. Surface tension 723 ', '5. Dielectric constant N/A ', '6. Polarizability 2213 ', '7. Single isotope mass 203058243 Da ', '8. Nominal mass 203 Da ', '9. Average mass 2031941 Da']
|
|
Computational_Chemistry:
|
['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :7 ', '6. TPSA 704 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :256 ', '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:
|
235 °C (dec.)(lit.)
|
|
MF:
|
C11H9NO3
|
|
Exact_Mass:
|
203.058243
|
|
FW:
|
203.194
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 黄绿色粉末 ', '2 . Density（g/mL, 20 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）235 ', '5 . Boiling point（ºC,Atmospheric pressure）252 ', '6 . Boiling point（ºC,8mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºF）252 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）440 ', '11 . Vapor pressure（hPa,20ºC）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 Soluble in Water ']
|
