|
MF:
|
C9H12O
|
|
Water_Solubility:
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10.3 g/L (20 ºC)
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|
Bolling_Point:
|
235.8±9.0 °C at 760 mmHg
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Exact_Mass:
|
136.088821
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|
More_Info:
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['1 . Appearance Colourless Liquid ', '2 . Boiling point2375750℃，119℃（16kPa） ', '3 相对. Density0995（25/4℃） ', '4 折光率15357（25℃） ', '5 . Flash point109℃ ', '6 溶解度Soluble in 70% Ethanol and 醚，微Soluble in Water ', '7 相对. Density（25℃，4℃）09977 ', '8常温. Refractive index（n20）15271 ', '9 常温. Refractive index（n25）15245 ', '10相对. Density（20℃，4℃）1001778']
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|
Melting_Point:
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−18 °C(lit.)
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|
PSA:
|
20.23000
|
|
Flash_Point:
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109.4±0.0 °C
|
|
Refractive_Index:
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1.528
|
|
Density:
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1.0±0.1 g/cm3
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4196 ', '2 . Molar volume 1362 ', '3 . Parachor （902K）3403 ', '4 . Surface tension 389 ', '5 . Polarizability 1663']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :748 ', '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:
|
136.191
|
|
LogP:
|
1.88
|
|
Vapor_Pressure:
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0.0±0.5 mmHg at 25°C
|
