|
Refractive_Index:
|
1.585
|
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
Flash_Point:
|
128.9±16.7 °C
|
|
LogP:
|
3.59
|
|
Bolling_Point:
|
314.0±11.0 °C at 760 mmHg
|
|
FW:
|
198.217
|
|
PSA:
|
26.30000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :201 ', '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:
|
68-70 °C(lit.)
|
|
MF:
|
C13H10O2
|
|
Exact_Mass:
|
198.068085
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5789 ', '2 . Molar volume 1728 ', '3 . Parachor （902K）4446 ', '4 . Surface tension 438 ', '5 . Polarizability 2295']
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 棱形结晶。有草叶油味。 ', '2 相对. Density（20℃，4℃）1235 ', '3 相对. Density（25℃，4℃）1041131 ', '4 . Melting point（ºC）71 ', '5 . Boiling point（ºC,Atmospheric pressure）314 ', '6 . Boiling point（ºC, 20kpa）314℃ ', '7常温. Refractive index（n20）1550280 ', '8 常温. Refractive index（n25）15403102 ', '9 . Specific rotation（º）Unknow ', '10 气相标准. Combustion heat(焓)(kJ·mol-1)-64022 ', '11 气相标准声称热(焓)( kJ·mol-1) -1426 ', '12 晶相相标准. Combustion heat(焓)(kJ·mol-1)-63032 ', '13 晶相标准声称热(焓)( kJ·mol-1)-2416 ', '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 易Soluble in 热 Ethanol ，微Soluble in 冷 Ethanol and Ethyl ether ，Insoluble in Water 。']
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