|
Refractive_Index:
|
n20/D 1.462(lit.)
|
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Vapor_Pressure:
|
8.37mmHg at 25°C
|
|
Flash_Point:
|
23.9ºC
|
|
LogP:
|
2.89680
|
|
Bolling_Point:
|
138.4ºC at 760mmHg
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|
More_Info:
|
['1 . Appearance Colourless 透明Liquid ', '2 . Density（g/mL,25℃）0822 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）136 ', '6 . Boiling point（ºC,014mmHg）Unknow ', '7 . Refractive index(n20/D)1462 ', '8 . Flash point（ºC）23 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
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|
Molecular_Structure:
|
['1. Molar refractive index 3855 ', '2. Molar volume 1236 ', '3. Parachor （902K）3047 ', '4. Surface tension 368 ', '5. Dielectric constant 295 ', '6. Polarizability 1528 ', '7. Single isotope mass 11010955 Da ', '8. Nominal mass 110 Da ', '9. Average mass 1101968 Da']
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|
Computational_Chemistry:
|
['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :822 ', '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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|
MF:
|
C8H14
|
|
Exact_Mass:
|
110.11000
|
|
FW:
|
110.19700
|
|
Density:
|
0.891g/cm3
|
