|
Molecular_Structure:
|
['1 . Molar refractive index 9712 ', '2 . Molar volume 3031 ', '3 . Parachor （902K）7749 ', '4 . Surface tension 427 ', '5 . Polarizability 3850']
|
|
Flash_Point:
|
169.5ºC
|
|
Refractive_Index:
|
1.553
|
|
FW:
|
326.42900
|
|
Density:
|
1.076g/cm3
|
|
Bolling_Point:
|
435.1ºC at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :4 ', '6. TPSA 465 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :347 ', '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']
|
|
LogP:
|
5.51440
|
|
Melting_Point:
|
75ºC
|
|
PSA:
|
46.53000
|
|
MF:
|
C21H26O3
|
|
More_Info:
|
['1 . Appearance White 结晶 ', '2 . Density（g/mL, ,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）72-74 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 25mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8. Flash point（ºC）Unknow ', '9. Solubility 27℃时在下列溶剂中的溶解度（g/100g溶剂）分别为丙酮1272苯1440乙烷370 Ethanol 45Water ＜01。']
|
|
Vapor_Pressure:
|
3.52E-08mmHg at 25°C
|
|
Exact_Mass:
|
326.18800
|
