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Molecular_Structure:
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['1. Molar refractive index 2435 ', '2. Molar volume 91 ', '3. Parachor （902K）2048 ', '4. Surface tension 256 ', '5. Dielectric constant N/A ', '6. Polarizability 965 ', '7. Single isotope mass 84057515 Da ', '8. Nominal mass 84 Da ', '9. Average mass 841164 Da']
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LogP:
|
1.11
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Flash_Point:
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-12.2±0.0 °C
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Refractive_Index:
|
1.448
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FW:
|
84.116
|
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Density:
|
0.9±0.1 g/cm3
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|
Bolling_Point:
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98.4±10.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :74 ', '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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|
PSA:
|
9.23000
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MF:
|
C5H8O
|
|
More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,15℃）0922 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）82 ', '6 . Refractive index1432 ', '7 . Flash point（ºC）-12 ', '8 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Vapor pressure（kPa,25ºC）Unknow ', '11 . Saturated vapor pressure（kPa,60ºC）Unknow ', '12 . Combustion heat（KJ/mol）Unknow ', '13 . Critical temperature（ºC）Unknow ', '14 . Critical pressure（KPa）Unknow ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion（%,V/V）Unknow ', '17 . Lower limit of explosion（%,V/V）Unknow . Solubility Unknow']
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Vapor_Pressure:
|
46.0±0.2 mmHg at 25°C
|
|
Exact_Mass:
|
84.057518
|
