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Molecular_Structure:
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['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 247217734Da ', '8. Nominal mass 247Da ', '9. Average mass 2473605Da']
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Flash_Point:
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123.8±18.7 °C
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Refractive_Index:
|
n20/D 1.475(lit.)
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|
FW:
|
247.361
|
|
Density:
|
0.903 g/mL at 25 °C(lit.)
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|
Bolling_Point:
|
206.4±0.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1 . XlogP 28 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 9 ', '5 . Isotope Atom Count ', '6 . TPSA 97 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 126 ', '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']
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|
LogP:
|
3.36
|
|
PSA:
|
23.31000
|
|
MF:
|
C12H30N3P
|
|
More_Info:
|
['1 . Appearance 油状Liquid ', '2 . Density（g/L,20ºC）0903 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）245-246 ', '6 . Boiling point（ºC 10mmHg）120-122 ', '7 . Refractive index（nD20）14578 ', '8 . Flash point（ºC）58 ', '9 . Specific rotation（）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）59 ', '11 . Vapor pressure（Pa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20ºC）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']
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|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
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|
Exact_Mass:
|
247.217728
|
