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Molecular_Structure:
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['1. Molar refractive index 3616 ', '2. Molar volume 117 ', '3. Parachor （902K）3014 ', '4. Surface tension 439 ', '5. Dielectric constant N/A ', '6. Polarizability 1433 ', '7. Single isotope mass 124088815 Da ', '8. Nominal mass 124 Da ', '9. Average mass 1241803 Da']
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LogP:
|
1.36
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|
Flash_Point:
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86.7±0.0 °C
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|
Refractive_Index:
|
1.530
|
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FW:
|
124.180
|
|
Density:
|
1.1±0.1 g/cm3
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|
Bolling_Point:
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189.2±9.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP 12 ', '2. Hydrogen Bond Donor Count 1 ', '3. Hydrogen Bond Acceptor Count 1 ', '4. Rotatable Bond Count 1 ', '5. Isotope Atom Count N/A ', '6. TPSA 202 ', '7. Heavy Atom Count 9 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 140 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 3 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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|
PSA:
|
20.23000
|
|
MF:
|
C8H12O
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）1027 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,266kPa）97 ', '7 . Refractive indexn20/D 1500(lit) ', '8 . Flash point（ºC）87 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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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|
Vapor_Pressure:
|
0.2±0.8 mmHg at 25°C
|
|
Exact_Mass:
|
124.088814
|
