|
FW:
|
176.298
|
|
MF:
|
C13H20
|
|
Refractive_Index:
|
1.488
|
|
Bolling_Point:
|
245.7±3.0 °C at 760 mmHg
|
|
Exact_Mass:
|
176.156494
|
|
Vapor_Pressure:
|
0.0±0.2 mmHg at 25°C
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :101 ', '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']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5896 ', '2 . Molar volume 2047 ', '3 . Parachor （902K）4827 ', '4 . Surface tension 308 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 2337']
|
|
LogP:
|
5.87
|
|
Melting_Point:
|
−48 °C(lit.)
|
|
Flash_Point:
|
95.0±0.0 °C
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 液相标准热熔(J·mol-1·K-1)3528 ', '2 . Density（g/mL,25℃）086 ', '3 相对. Density（20℃，4℃）08567 ', '4 . Melting point（ºC）-48 ', '5 . Boiling point（ºC,Atmospheric pressure）240 ', '6 相对. Density（25℃，4℃）08530 ', '7 . Refractive index（n 20/D ）14854 ', '8 . Flash point（ºC）95 ', '9 常温. Refractive index（n25）14832 ', '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 Unknow']
|
