|
Bolling_Point:
|
244-245 °C(lit.)
|
|
LogP:
|
3.05950
|
|
More_Info:
|
['1 . Appearance Unknow。 ', '2 . Density（g/mL,20℃）0986 ', '3 相对. Density（25℃，4℃）0964830 ', '4 . Melting point（ºC）-94 ', '5 . Boiling point（ºC,Atmospheric pressure）244~245 ', '6 相对. Density（20℃，4℃）09630 ', '7 . Refractive index（n 20/D ）05158 ', '8 . Flash point（ºC,）102 ', '9 常温. Refractive index（n25）15125 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,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 Insoluble in Water ，Soluble in Ethanol Ethyl ether 。']
|
|
Computational_Chemistry:
|
['1. XlogP :3 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :134 ', '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:
|
-9 °C
|
|
Exact_Mass:
|
162.10400
|
|
MF:
|
C11H14O
|
|
Density:
|
0.975 g/mL at 20 °C(lit.)
|
|
Refractive_Index:
|
n20/D 1.5143(lit.)
|
|
PSA:
|
17.07000
|
|
Flash_Point:
|
217 °F
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5017 ', '2 . Molar volume 1704 ', '3 . Parachor （902K）4118 ', '4 . Surface tension 340 ', '5 . Dielectric constant 不可用 ', '6 偶极距（10-24cm3）不可用 ', '7 . Polarizability 1989']
|
|
FW:
|
162.22800
|
