|
Refractive_Index:
|
1.474
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|
Vapor_Pressure:
|
3.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
40.6±0.0 °C
|
|
LogP:
|
1.32
|
|
Bolling_Point:
|
137.1±8.0 °C at 760 mmHg
|
|
PSA:
|
20.23000
|
|
Molecular_Structure:
|
['1. Molar refractive index 2926 ', '2. Molar volume 1041 ', '3. Parachor (902K)2506 ', '4. Surface tension 335 ', '5. Dielectric constant N/A ', '6. Polarizability 116 ', '7. Single isotope mass 100088815 Da ', '8. Nominal mass 100 Da ', '9. Average mass 1001589 Da']
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|
Computational_Chemistry:
|
['1. XlogP :1 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :626 ', '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']
|
|
Melting_Point:
|
36-37 °C(lit.)
|
|
MF:
|
C6H12O
|
|
Exact_Mass:
|
100.088814
|
|
FW:
|
100.159
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Solid 。 ', '2 . Density(g/mL,25/4℃) 0904 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)36-37 ', '5 . Boiling point(ºC,Atmospheric pressure)135-136 ', '6 . Boiling point(ºC,52kPa) Unknow ', '7 . Refractive index 143855 ', '8 . Flash point(ºC) 41 ', '9 . Specific rotation(º) Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC) Unknow ', '11 . Vapor pressure(kPa,25ºC) 3 ', '12 . Saturated vapor pressure(kPa,60ºC) Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC) Unknow ', '15 . Critical pressure(KPa) Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 132 ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V) Unknow ', '19 . Solubility 微Soluble in Water 。']
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