|
Refractive_Index:
|
1.4510
|
|
Vapor_Pressure:
|
2.18mmHg at 25°C
|
|
Flash_Point:
|
61-62°C/18mm
|
|
LogP:
|
3.35010
|
|
Bolling_Point:
|
61-62°C 18mm
|
|
FW:
|
179.09800
|
|
More_Info:
|
['1 . Appearance Liquid ', '2 . Density（g/mL,20ºC）114 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，18mmHg）61-62 ', '7 . Refractive index14510 ', '8 . Flash point（°C）61-62°C/18mm ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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 难溶解于Water 的']
|
|
Computational_Chemistry:
|
['1 . XlogP 37 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count ', '6 . TPSA 0 ', '7 . Heavy Atom Count 8 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 437 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 1 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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|
MF:
|
C7H15Br
|
|
Exact_Mass:
|
178.03600
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4216 ', '2 . Molar volume （m3/mol）1576 ', '3 . Parachor （902K）3601 ', '4 . Surface tension 272 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）1671']
|
|
Density:
|
1,14 g/cm3
|
