|
Molecular_Structure:
|
['1. Molar refractive index 8139 ', '2. Molar volume 2395 ', '3. Parachor （902K）6259 ', '4. Surface tension 466 ', '5. Dielectric constant N/A ', '6. Polarizability 3226 ', '7. Single isotope mass 267162314 Da ', '8. Nominal mass 267 Da ', '9. Average mass 2673654 Da']
|
|
Flash_Point:
|
196.8±21.8 °C
|
|
Refractive_Index:
|
1.595
|
|
FW:
|
267.365
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Bolling_Point:
|
406.8±25.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1 . XlogP 31 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 247 ', '7 . Heavy Atom Count 20 ', '8 . Topological Polar Surface Area 1 ', '9 . Complexity 287 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 1 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
LogP:
|
4.03
|
|
Melting_Point:
|
68-71 °C
|
|
PSA:
|
23.47000
|
|
MF:
|
C18H21NO
|
|
More_Info:
|
['1 . Appearance White Solid ', '2 . Density（g/mL,20/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）68-71 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index-55º ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）不适用的 ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 不能Soluble in Water ']
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
|
Exact_Mass:
|
267.162323
|
