|
Molecular_Structure:
|
['1. Molar refractive index 5457 ', '2. Molar volume 2001 ', '3. Parachor （902K）4884 ', '4. Surface tension 354 ', '5. Dielectric constant N/A ', '6. Polarizability 2163 ', '7. Single isotope mass 218126657 Da ', '8. Nominal mass 218 Da ', '9. Average mass 2182502 Da']
|
|
Refractive_Index:
|
1.458
|
|
FW:
|
218.250
|
|
Density:
|
1.090±0.06 g/cm3
|
|
Water_Solubility:
|
Sparingly soluble (11 g/L) (25 ºC)
|
|
Computational_Chemistry:
|
['1. XlogP :05 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :2 ', '6. TPSA 679 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :235 ', '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:
|
0.72
|
|
Melting_Point:
|
102-103 ºC (ethyl acetate )
|
|
PSA:
|
67.87000
|
|
MF:
|
C9H18N2O4
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）100-104 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '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, 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']
|
|
Exact_Mass:
|
218.126663
|
