|
Molecular_Structure:
|
['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 345185765 Da ', '8. Nominal mass 345 Da ', '9. Average mass 3454156 Da']
|
|
Flash_Point:
|
184.8±24.8 °C
|
|
Refractive_Index:
|
n20/D 1.535(lit.)
|
|
FW:
|
345.416
|
|
Density:
|
1.028 g/mL at 25 °C(lit.)
|
|
Bolling_Point:
|
382.0±31.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :48 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :N/A ', '6. TPSA 217 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :296 ', '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']
|
|
LogP:
|
6.82
|
|
PSA:
|
35.29000
|
|
MF:
|
C20H28NO2P
|
|
More_Info:
|
['1 . Appearance 浅Yellow 透明Liquid ', '2 . Density（g/mL,25℃）1028 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，055mmHg）130 ', '7 . Refractive index(n20/D)1535 ', '8 . Flash point（ºC）69 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 Soluble in 二氯甲烷四氢呋喃以及乙腈，Insoluble in 冷Water ']
|
|
Vapor_Pressure:
|
0.0±0.9 mmHg at 25°C
|
|
Exact_Mass:
|
345.185760
|
