|
Molecular_Structure:
|
['1. Molar refractive index 9462 ', '2. Molar volume 3213 ', '3. Parachor （902K）7625 ', '4. Surface tension 316 ', '5. Dielectric constant N/A ', '6. Polarizability 3751 ', '7. Single isotope mass 32024421 Da ', '8. Nominal mass 320 Da ', '9. Average mass 320748 Da']
|
|
Flash_Point:
|
177.3±23.2 °C
|
|
Refractive_Index:
|
1.501
|
|
FW:
|
320.748
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Bolling_Point:
|
369.6±25.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1 . XlogP ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 0 ', '7 . Heavy Atom Count 24 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 454 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 4 ', '12. Undefined Atom Stereocenter Count 4 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
LogP:
|
7.98
|
|
Melting_Point:
|
53-55 °C(lit.)
|
|
MF:
|
C20H34BCl
|
|
More_Info:
|
['1 . Appearance Colourless -极淡的Yellow 透明Liquid ，易挥发。 ', '2 . Density（g/mL,25℃）091 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（℃/ Hexane）-95 ', '5 . Boiling point（℃/ Hexane）68 ', '6 logWater 分配系数（Hexane）39 ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（℃/ Hexane）-22 ', '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,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 Soluble in 大多数常用的有机溶剂，例如 Ethyl ether 四氢呋喃二氯甲烷正己烷and 正戊烷等。']
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Exact_Mass:
|
320.244202
|
