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Refractive_Index:
|
1.537
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Vapor_Pressure:
|
0.1±0.4 mmHg at 25°C
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Flash_Point:
|
94.4±8.8 °C
|
|
LogP:
|
2.47
|
|
Bolling_Point:
|
211.7±9.0 °C at 760 mmHg
|
|
PSA:
|
20.23000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3768 ', '2 . Molar volume 1206 ', '3 . Parachor （902K）2988 ', '4 . Surface tension 376 ', '5 . Polarizability 1493']
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|
Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :9 ', '6. TPSA 202 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :806 ', '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']
|
|
Melting_Point:
|
-4 °C
|
|
MF:
|
C8H10O
|
|
Exact_Mass:
|
122.073166
|
|
FW:
|
122.164
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless or 淡Yellow Liquid 。 ', '2 . Density（g/mL,25/4℃）10283 ', '3相对. Density（20℃，4℃）10218 ', '4 . Melting point（ºC）-4 ', '5 . Boiling point（ºC,Atmospheric pressure）212(100kpa) ', '6 常温. Refractive index（n20）1532 ', '7 常温. Refractive index（n25）1514465 ', '8 . Flash point（ºC）94 ', '9 溶度参数(J·cm-3)0519393 ', '10van der Waals面积（cm2·mol-1）9430×1010 ', '11van der Waals体积（cm3·mol-1）74460 ', '12 气相标准. Combustion heat(焓)(kJ·mol-1)-44311 ', '13 气相标准声称热(焓)( kJ·mol-1) -1461 ', '14 . Critical temperature（ºC）44325 ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient ', '17 液相标准. Combustion heat(焓)(kJ·mol-1)-43629 ', '18 液相标准声称热(焓)( kJ·mol-1)-2143 ', '19 . Solubility Soluble in Ethanol Ethyl ether 。']
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