|
Refractive_Index:
|
1.443
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|
Vapor_Pressure:
|
5.8±0.3 mmHg at 25°C
|
|
Flash_Point:
|
26.1±0.0 °C
|
|
LogP:
|
0.69
|
|
Bolling_Point:
|
141.6±8.0 °C at 760 mmHg
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|
Water_Solubility:
|
soluble
|
|
PSA:
|
17.07000
|
|
Molecular_Structure:
|
['1. Molar refractive index 2789 ', '2. Molar volume 1052 ', '3. Parachor （902K）2438 ', '4. Surface tension 288 ', '5. Dielectric constant N/A ', '6. Polarizability 1105 ', '7. Single isotope mass 98073165 Da ', '8. Nominal mass 98 Da ', '9. Average mass 98143 Da']
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|
Computational_Chemistry:
|
['1. XlogP :1 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :862 ', '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']
|
|
Melting_Point:
|
-75ºC
|
|
MF:
|
C6H10O
|
|
Exact_Mass:
|
98.073166
|
|
FW:
|
98.143
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 透明or 浅Yellow Liquid ', '2 . Density（g/mL,25℃）0917 ', '3 相对. Density（20℃，4℃）0919 ', '4 . Melting point（ºC）-750 ', '5 . Boiling point（ºC,Atmospheric pressure）1395 ', '6 . Boiling point（ºC,9mmHg）Unknow ', '7 . Refractive index(n20/D)14351 ', '8 . Flash point（ºC）26 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-35190 ', '10 气相标准声称热(焓)( kJ·mol-1) -2712 ', '11 液相标准. Combustion heat(焓)(kJ·mol-1)-35250 ', '12 液相标准声称热(焓)( kJ·mol-1)-2652 ', '13 液相标准热熔(J·mol-1·K-1)1642 ', '14 . Critical temperature（ºC）35785 ', '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 Soluble in Water ，易Soluble in Ethyl ether Ethyl ether 丙酮。']
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