|
MF:
|
C11H14O
|
|
Bolling_Point:
|
250.2±9.0 °C at 760 mmHg
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|
Exact_Mass:
|
162.104462
|
|
More_Info:
|
['1 . Appearance Colourless Liquid ', '2 . Density（g/mL,25/4℃） 09717 ', '3 相对. Density（20℃，4℃）09754 ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）240735 ', '6 常温. Refractive index（n20）15161 ', '7 . Refractive index 1517 ', '8 . Flash point（ºC）>110 ', '9常温. Refractive index（n25）15143 ', '10 气相标准. Combustion heat(焓)(kJ·mol-1)-61245 ', '11 气相标准声称热(焓)( kJ·mol-1) -2049 ', '12 液相标准. Combustion heat(焓)(kJ·mol-1)-60622 ', '13 液相标准声称热(焓)( kJ·mol-1)-2672 ', '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']
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|
PSA:
|
17.07000
|
|
Flash_Point:
|
99.0±13.7 °C
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|
Refractive_Index:
|
1.510
|
|
Density:
|
1.0±0.1 g/cm3
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|
Molecular_Structure:
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['1 . Molar refractive index 5075 ', '2 . Molar volume 1697 ', '3 . Parachor （902K）4053 ', '4 . Surface tension 324 ', '5 . Dielectric constant （F/m）无可用 ', '6 . Polarizability 2012']
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Computational_Chemistry:
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['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :25 ', '6. TPSA 171 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :162 ', '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']
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|
FW:
|
162.228
|
|
LogP:
|
3.05
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
