|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 8365 ', '2 . Molar volume （m3/mol）2260 ', '3 . Parachor （902K）6637 ', '4 . Surface tension 743 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 3316']
|
|
Flash_Point:
|
298.2ºC
|
|
Refractive_Index:
|
1.662
|
|
FW:
|
345.26400
|
|
Density:
|
1.527g/cm3
|
|
Bolling_Point:
|
569.4ºC at 760mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :21 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :2 ', '6. TPSA 158 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :514 ', '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']
|
|
LogP:
|
3.49600
|
|
Melting_Point:
|
218-220ºC(lit.)
|
|
PSA:
|
158.04000
|
|
MF:
|
C15H11N3O7
|
|
More_Info:
|
['1 . Appearance 淡Yellow 粉末 ', '2 . Density（g/mL 25ºC）1063 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºCAtmospheric pressure）218-220 ', '5 . Boiling point（ºC，760mmHg）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC，）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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (mg/mL) Unknow']
|
|
Exact_Mass:
|
345.06000
|
