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Molecular_Structure:
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['1 . Molar refractive index 3109 ', '2 . Molar volume 1176 ', '3 . Parachor （902K）2790 ', '4 . Surface tension 316 ', '5 . Dielectric constant （F/m）无可用 ', '6 . Polarizability 1232']
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LogP:
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1.34
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Flash_Point:
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88.1±13.9 °C
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Refractive_Index:
|
1.441
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FW:
|
114.142
|
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Density:
|
1.0±0.1 g/cm3
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|
Bolling_Point:
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190.6±9.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :967 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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PSA:
|
37.30000
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|
MF:
|
C6H10O2
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|
More_Info:
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['1 . Appearance Colourless Liquid ', '2 . Density（g/mL,25/4℃） 0949 ', '3 . Boiling point（ºC,Atmospheric pressure）195 ', '4 . Refractive index 143 ', '5 . Flash point（ºC） 107 ', '6 . Solubility 微Soluble in Water ']
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|
Vapor_Pressure:
|
0.2±0.8 mmHg at 25°C
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|
Exact_Mass:
|
114.068077
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