|
FW:
|
156.26500
|
|
Refractive_Index:
|
n20/D 1.456(lit.)
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Flash_Point:
|
98.3ºC
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|
LogP:
|
2.75130
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|
Bolling_Point:
|
224.5ºC at 760 mmHg
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|
More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,15℃）0857 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）112-113 ', '6 . Refractive indexUnknow ', '7 . Flash point（ºC）100 ', '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 Unknow']
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Computational_Chemistry:
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['1. XlogP :32 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :112 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '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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|
MF:
|
C10H20O
|
|
Exact_Mass:
|
156.15100
|
|
Molecular_Structure:
|
['1. Molar refractive index 4977 ', '2. Molar volume 1849 ', '3. Parachor （902K）4275 ', '4. Surface tension 285 ', '5. Dielectric constant N/A ', '6. Polarizability 1973 ', '7. Single isotope mass 156151415 Da ', '8. Nominal mass 156 Da ', '9. Average mass 1562652 Da']
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Density:
|
0.857 g/mL at 25ºC(lit.)
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PSA:
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20.23000
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