|
Refractive_Index:
|
1.469
|
|
Vapor_Pressure:
|
0.1±0.5 mmHg at 25°C
|
|
Flash_Point:
|
77.8±0.0 °C
|
|
LogP:
|
0.26
|
|
Bolling_Point:
|
228.2±33.0 °C at 760 mmHg
|
|
Water_Solubility:
|
insoluble
|
|
PSA:
|
43.37000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3032 ', '2 . Molar volume 1101 ', '3 . Parachor （902K）2661 ', '4 . Surface tension 340 ', '5 . Polarizability 1202']
|
|
Computational_Chemistry:
|
['1. XlogP :09 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :5 ', '6. TPSA 434 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :174 ', '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:
|
C8H12O3
|
|
Exact_Mass:
|
156.078644
|
|
FW:
|
156.179
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1. Appearance Colourless Liquid 。 ', '2. Boiling point122-124℃（333kPa）。 ', '3相对. Density10976（0℃）。 ', '4折光率1451（25℃）。 ', '5. Solubility Soluble in 醇醚苯，Insoluble in Water 。 ', '6. Flash point77°C。']
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