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Refractive_Index:
|
1.426
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
|
Flash_Point:
|
85.8±19.9 °C
|
|
LogP:
|
-0.19
|
|
Bolling_Point:
|
214.7±13.0 °C at 760 mmHg
|
|
PSA:
|
60.44000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 3631 ', '2 . Molar volume 1418 ', '3 . Parachor （902K）3455 ', '4 . Surface tension 352 ', '5 . Polarizability 1439']
|
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Computational_Chemistry:
|
['1. XlogP :02 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :5 ', '6. TPSA 604 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :183 ', '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']
|
|
Melting_Point:
|
16-18 °C(lit.)
|
|
MF:
|
C7H10O4
|
|
Exact_Mass:
|
158.057907
|
|
FW:
|
158.152
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1 . Melting point（ºC）16-18ºC ', '2 . Boiling point（ºC,Atmospheric pressure）101-103°C12mm Hg(lit) ', '3 . Density1126g/mLat 25°C(lit ', '4 . Refractive indexn20/D 1474(lit) ', '5 . Flash point（ºC）230°F']
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