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Refractive_Index:
|
1.596
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|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
|
Flash_Point:
|
181.3±20.8 °C
|
|
LogP:
|
2.60
|
|
Bolling_Point:
|
448.6±40.0 °C at 760 mmHg
|
|
Water_Solubility:
|
0.35 g/100 mL (25 ºC)
|
|
PSA:
|
86.99000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5293 ', '2 . Molar volume 1556 ', '3 . Parachor （902K）4367 ', '4 . Surface tension 620 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 2098']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :14 ', '6. TPSA 87 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :206 ', '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:
|
146-149 °C(lit.)
|
|
MF:
|
C10H12O5
|
|
Exact_Mass:
|
212.068466
|
|
FW:
|
212.199
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White to 淡褐色结晶性粉末or 乳White 针状结晶，无臭，稍有苦味。 ', '2 . Melting point（℃）150 ', '3 Water 溶性（g/100mL,25 ºC）035 ', '4 . Solubility 易Soluble in Ethanol 丙酮and Ethyl ether ，难Soluble in 三氯甲烷脂肪与Water 。']
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