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Molecular_Structure:
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['1 . Molar refractive index 6457 ', '2 . Molar volume 1601 ', '3 . Parachor （902K）4937 ', '4 . Surface tension 903 ', '5 . Dielectric constant （F/m） ', '6 偶极距（D） ', '7 . Polarizability 2559']
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|
LogP:
|
-1.71
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|
Flash_Point:
|
326.4±34.3 °C
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Refractive_Index:
|
1.740
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|
FW:
|
287.212
|
|
Density:
|
1.8±0.1 g/cm3
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|
Bolling_Point:
|
616.1±65.0 °C at 760 mmHg
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Melting_Point:
|
276-280°C
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :3 ', '6. TPSA 136 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :354 ', '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']
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|
Water_Solubility:
|
13.4 mg/mL (25 ºC)
|
|
PSA:
|
146.19000
|
|
MF:
|
C9H14N5O4P
|
|
More_Info:
|
['一物性数据 ', '1 . Appearance White Solid 。White 细微的结晶。 ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）279 ºC ', '5 . Boiling point（ºC,067kpaor 5 mmHg）不确定 ', '6 . Refractive index不确定 ', '7 . Flash point（ºC）不确定 ', '8 . Specific rotation（ºC）不确定 ', '9 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '10 . Vapor pressure（kPa,25ºC）不确定 ', '11 . Saturated vapor pressure（kPa,60ºC）不确定 ', '12 . Combustion heat（KJ/mol）不确定 ', '13 . Critical temperature（ºC）503 ', '14 . Critical pressure（KPa）不确定 ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '16 . Upper limit of explosion（%,V/V）不确定 ', '17 . Lower limit of explosion（%,V/V）不确定 ', '18 . Solubility 不确定。']
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|
Vapor_Pressure:
|
0.0±1.9 mmHg at 25°C
|
|
Exact_Mass:
|
287.078339
|
