|
Refractive_Index:
|
1.542
|
|
Vapor_Pressure:
|
4.38E-06mmHg at 25°C
|
|
Flash_Point:
|
>110ºC
|
|
LogP:
|
4.46760
|
|
Bolling_Point:
|
177-179ºC (3 mmHg)
|
|
FW:
|
275.38600
|
|
PSA:
|
52.32000
|
|
Computational_Chemistry:
|
['1. XlogP :51 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :4 ', '6. TPSA 523 ', '7. Heavy Atom Count :20 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :329 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :3 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
MF:
|
C17H25NO2
|
|
Exact_Mass:
|
275.18900
|
|
Molecular_Structure:
|
['1. Molar refractive index 8102 ', '2. Molar volume 2605 ', '3. Parachor （902K）6601 ', '4. Surface tension 412 ', '5. Dielectric constant N/A ', '6. Polarizability 3212 ', '7. Single isotope mass 275188529 Da ', '8. Nominal mass 275 Da ', '9. Average mass 2753859 Da']
|
|
Density:
|
1.04
|
|
More_Info:
|
['1 . Appearance 深Yellow 黏稠Liquid ，有弱的香甜气。 ', '2 . Density（g/mL,25℃）104 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,04KPa）177-179 ', '7 . Refractive indexn20/D 1542 ', '8 . Flash point（ºC）>110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20ºC）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 Insoluble in Water and 汽油。']
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