|
MF:
|
C12H12
|
|
Bolling_Point:
|
251-252 °C(lit.)
|
|
Exact_Mass:
|
156.09400
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）09882g/mL ', '3 相对. Density（20℃，4℃）09919 ', '4 . Melting point（ºC）−75 ', '5 . Boiling point（ºC,Atmospheric pressure）258 ', '6 常温. Refractive index（n25）15977 ', '7 . Refractive index（n 20/D） 15999 ', '8 . Flash point（ºC）104 ', '9 液相标准热熔(J·mol-1·K-1)2728 ', '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 Soluble in Ethanol Ethyl ether 。']
|
|
Melting_Point:
|
−70 °C(lit.)
|
|
Flash_Point:
|
104 °C
|
|
Refractive_Index:
|
n20/D 1.599(lit.)
|
|
Density:
|
0.992 g/mL at 25 °C(lit.)
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5364 ', '2 . Molar volume 1563 ', '3 . Parachor （902K）3877 ', '4 . Surface tension 377 ', '5 . Dielectric constant （F/m）271 ', '6 . Polarizability 2126']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :139 ', '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']
|
|
FW:
|
156.22400
|
|
LogP:
|
3.40220
|
