|
Refractive_Index:
|
1.441
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
96.1±8.6 °C
|
|
LogP:
|
3.10
|
|
Bolling_Point:
|
262.4±13.0 °C at 760 mmHg
|
|
Water_Solubility:
|
0.1-0.5 g/100 mL at 20.5 ºC
|
|
PSA:
|
35.25000
|
|
Molecular_Structure:
|
['分子性质数据 ', '1 . Molar refractive index 5824 ', '2 . Molar volume （m3/mol）2205 ', '3 . Parachor （902K）5158 ', '4 . Surface tension 299 ', '5 . Polarizability （10 -24cm 3）2309']
|
|
Computational_Chemistry:
|
['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :N/A ', '6. TPSA 352 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :961 ', '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']
|
|
MF:
|
C11H25NO
|
|
Exact_Mass:
|
187.193619
|
|
FW:
|
187.322
|
|
Density:
|
0.8±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 透明Liquid ', '2 . Density（g/mL,25/4℃）1112 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）123 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（℃）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '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 Unknow']
|
