|
Refractive_Index:
|
1.591-1.593
|
|
Vapor_Pressure:
|
0.000323mmHg at 25°C
|
|
Flash_Point:
|
> 109ºC
|
|
LogP:
|
3.53440
|
|
Bolling_Point:
|
316-318°C
|
|
PSA:
|
17.07000
|
|
Molecular_Structure:
|
['1. Molar refractive index 6569 ', '2. Molar volume 200 ', '3. Parachor （902K）5021 ', '4. Surface tension 396 ', '5. Dielectric constant N/A ', '6. Polarizability 2604 ', '7. Single isotope mass 210104465 Da ', '8. Nominal mass 210 Da ', '9. Average mass 2102711 Da']
|
|
Computational_Chemistry:
|
['1. XlogP :4 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :12 ', '6. TPSA 171 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :240 ', '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']
|
|
Melting_Point:
|
122°C
|
|
MF:
|
C15H14O
|
|
Exact_Mass:
|
210.10400
|
|
FW:
|
210.27100
|
|
Density:
|
1.07
|
|
More_Info:
|
['1 . Appearance Colourless 透明Liquid 2 . Density（ g/mL,25 ℃ ） 107 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）122 ', '5 . Boiling point（ºC,Atmospheric pressure）316-318 ', '6 . Boiling point（ºC,4mmHg）Unknow ', '7 . Refractive index（n20/D）1591-1593 ', '8 . Flash point（ºC,06mm）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,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 不能溶解于Water 的']
|
