|
Refractive_Index:
|
1.412
|
|
Vapor_Pressure:
|
1.29mmHg at 25°C
|
|
Flash_Point:
|
60ºC
|
|
LogP:
|
2.57730
|
|
Bolling_Point:
|
180ºC
|
|
FW:
|
160.25400
|
|
PSA:
|
18.46000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 185 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :566 ', '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']
|
|
MF:
|
C9H20O2
|
|
Exact_Mass:
|
160.14600
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4723 ', '2 . Molar volume 1898 ', '3 . Parachor （902K）4295 ', '4 . Surface tension 262 ', '5 . Polarizability 1872']
|
|
Density:
|
0.84 g/cm3
|
|
More_Info:
|
['1 . Appearance 无可用 ', '2 相对. Density（25℃，4℃）08191405 ', '3 相对. Density（20℃，4℃）08378 ', '4 . Melting point（ºC）-581 ', '5 . Boiling point（ºC,Atmospheric pressure）1792 ', '6常温. Refractive index（n20）14068 ', '7 常温. Refractive index（n25）14052 ', '8 . Flash point（ºC）60 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-58986 ', '10 气相标准声称热(焓)( kJ·mol-1) -5013 ', '11 液相标准. Combustion heat(焓)(kJ·mol-1)-58505 ', '12 液相标准声称热(焓)( kJ·mol-1)-5494 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V） 无可用 ', '19 . Solubility 无可用']
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