Refractive_Index:
|
1.561
|
Vapor_Pressure:
|
4.69E-06mmHg at 25°C
|
Flash_Point:
|
178.3ºC
|
LogP:
|
2.06370
|
Bolling_Point:
|
382.6ºC at 760 mmHg
|
PSA:
|
84.65000
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 5802 ', '2 . Molar volume (m3/mol)1778 ', '3 . Parachor (902K)4884 ', '4 . Surface tension 568 ', '5 . Dielectric constant N/A ', '6 偶极距(10 -24cm 3)N/A ', '7 . Polarizability 2300']
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Computational_Chemistry:
|
['1. XlogP :15 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 846 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :318 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '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:
|
87-89ºC(lit.)
|
MF:
|
C11H11NO5
|
Exact_Mass:
|
237.06400
|
FW:
|
237.20900
|
Density:
|
1.321g/cm3
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density(g/mL,25ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)87-89 ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,50mmHg)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,20ºC)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 Unknow']
|