|
FW:
|
227.429
|
|
Refractive_Index:
|
1.441
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
84.1±8.5 °C
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|
LogP:
|
5.89
|
|
Bolling_Point:
|
238.0±8.0 °C at 760 mmHg
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More_Info:
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['1 . Appearance Colourless to 浅Yellow 透明Liquid 。 ', '2 . Density(g/mL,20/4℃)0782 ', '3 . Boiling point(ºC,Atmospheric pressure)265-270 ', '4 . Refractive index(20ºC)1433 ', '5 . Flash point(ºC)77 ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Solubility 能与 Ethanol Ethyl ether 四氯化碳相混溶。']
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Computational_Chemistry:
|
['1. XlogP :53 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :N/A ', '6. TPSA 32 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :121 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '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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|
MF:
|
C15H33N
|
|
Exact_Mass:
|
227.261307
|
|
Molecular_Structure:
|
['1 . Molar refractive index 7513 ', '2 . Molar volume 2845 ', '3 . Parachor (902K)6467 ', '4 . Surface tension 267 ', '5 . Polarizability 2978']
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|
Density:
|
0.8±0.1 g/cm3
|
|
PSA:
|
3.24000
|