FW:
|
181.145
|
MF:
|
C8H7NO4
|
Refractive_Index:
|
1.601
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
Bolling_Point:
|
337.1±30.0 °C at 760 mmHg
|
Exact_Mass:
|
181.037506
|
PSA:
|
83.12000
|
Computational_Chemistry:
|
['1 . XlogP 16 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 804 ', '7 . Heavy Atom Count 13 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 223 ', '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']
|
Molecular_Structure:
|
['1 . Molar refractive index 4455 ', '2 . Molar volume (m3/mol)1300 ', '3 . Parachor (902K)3625 ', '4 . Surface tension 603 ', '5 . Dielectric constant (F/m)无可用 ', '6 偶极距(D)无可用 ', '7 . Polarizability (10 -24cm 3)1766']
|
LogP:
|
2.28
|
Melting_Point:
|
182-184 °C(lit.)
|
Flash_Point:
|
151.9±13.0 °C
|
Density:
|
1.4±0.1 g/cm3
|
More_Info:
|
['1 . Appearance 粉末 ', '2 . Density(g/mL,20ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)182-184 ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,18mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(°C)Unknow ', '9 . Specific rotation(ºF)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,110ºC)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 微溶解于Water 的']
|