|
FW:
|
356.54000
|
|
Refractive_Index:
|
n20/D 1.444(lit.)
|
|
Vapor_Pressure:
|
3.46E-06mmHg at 25°C
|
|
Flash_Point:
|
173.4ºC
|
|
LogP:
|
5.67590
|
|
Bolling_Point:
|
386.8ºC at 760 mmHg
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）093 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）282 ', '6 . Boiling point（ºC,760mmHg173 ', '7 . Refractive indexn 20/D 1444(lit) ', '8 . Flash point（ºC）113 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（hPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,26 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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']
|
|
Computational_Chemistry:
|
['1. XlogP :69 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :20 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :285 ', '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']
|
|
MF:
|
C21H40O4
|
|
Exact_Mass:
|
356.29300
|
|
Molecular_Structure:
|
['1. Molar refractive index 1028 ', '2. Molar volume 3828 ', '3. Parachor （902K）9118 ', '4. Surface tension 321 ', '5. Dielectric constant N/A ', '6. Polarizability 4075 ', '7. Single isotope mass 35629266 Da ', '8. Nominal mass 356 Da ', '9. Average mass 3565399 Da']
|
|
Density:
|
0.93 g/mL at 25ºC(lit.)
|
|
PSA:
|
52.60000
|
