|
Molecular_Structure:
|
['1. Molar refractive index 8108 ', '2. Molar volume 2397 ', '3. Parachor （902K）6472 ', '4. Surface tension 53 ', '5. Dielectric constant N/A ', '6. Polarizability 3214 ', '7. Single isotope mass 299115758 Da ', '8. Nominal mass 299 Da ', '9. Average mass 2993212 Da']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :2 ', '6. TPSA 756 ', '7. Heavy Atom Count :22 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :360 ', '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']
|
|
More_Info:
|
['1 . Appearance White 结晶 2 . Density（ g/cm', '3,25 ℃ ） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）85-87 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,05mmHg）Unknow ', '7 . Refractive index(°, C=4, AcOH)53 ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º, c=5,acetic acid)）5 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
|
