|
Molecular_Structure:
|
['1. Molar refractive index 4376 ', '2. Molar volume 153 ', '3. Parachor （902K）349 ', '4. Surface tension 27 ', '5. Dielectric constant 249 ', '6. Polarizability 1734 ', '7. Single isotope mass 136125201Da ', '8. Nominal mass 136Da ', '9. Average mass 136234Da']
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|
LogP:
|
2.99870
|
|
Flash_Point:
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34.9ºC
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|
Refractive_Index:
|
1.483
|
|
FW:
|
136.23400
|
|
Density:
|
0.88g/cm3
|
|
Bolling_Point:
|
157.5ºC
|
|
Computational_Chemistry:
|
['1 . XlogP 33 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count ', '6 . TPSA 0 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 177 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 2 ', '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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|
Melting_Point:
|
33-38ºC
|
|
Exact_Mass:
|
136.12500
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）084 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）33-38 ', '5 . Boiling point（ºC,Atmospheric pressure）1575-1585 ', '6 . Boiling point（ºC,18mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）34 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 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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|
MF:
|
C10H16
|
