|
Refractive_Index:
|
1.407
|
|
Vapor_Pressure:
|
62.1±0.1 mmHg at 25°C
|
|
Flash_Point:
|
26.7±0.0 °C
|
|
LogP:
|
1.31
|
|
Bolling_Point:
|
91.0±0.0 °C at 760 mmHg
|
|
PSA:
|
9.23000
|
|
Molecular_Structure:
|
['1. Molar refractive index 2946 ', '2. Molar volume 1197 ', '3. Parachor （902K）2634 ', '4. Surface tension 234 ', '5. Dielectric constant N/A ', '6. Polarizability 1168 ', '7. Single isotope mass 100088815 Da ', '8. Nominal mass 100 Da ', '9. Average mass 1001589 Da']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '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 :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :532 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :2 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
Melting_Point:
|
-45ºC
|
|
MF:
|
C6H12O
|
|
Exact_Mass:
|
100.088814
|
|
FW:
|
100.159
|
|
Density:
|
0.8±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Liquid ', '2 . Density（g/mL,15℃）0833 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）90-92 ', '6 . Refractive index1404 ', '7 . Flash point（ºC）26 ', '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 ', '18 . Solubility Soluble in Water ']
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