|
MF:
|
C14H12
|
|
Bolling_Point:
|
301.7±12.0 °C at 760 mmHg
|
|
Exact_Mass:
|
180.093903
|
|
More_Info:
|
['1 . Appearance 奶油色or Yellow Solid ', '2 . Density（g/L,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）115-116 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 10mmHg）Unknow ', '7 . Refractive index（nD20）Unknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,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 不能溶解的']
|
|
Melting_Point:
|
119-121 °C(lit.)
|
|
Flash_Point:
|
139.4±10.3 °C
|
|
Refractive_Index:
|
1.600
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 6176 ', '2 . Molar volume （m3/mol）1806 ', '3 . Parachor （902K）4455 ', '4 . Surface tension 370 ', '5 . Dielectric constant （F/m）265 ', '6 . Polarizability （10 -24cm 3）2448']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :169 ', '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:
|
180.245
|
|
LogP:
|
4.46
|
|
Vapor_Pressure:
|
0.0±0.3 mmHg at 25°C
|
