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Refractive_Index:
|
1.472
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
68.3±0.0 °C
|
|
LogP:
|
0.84
|
|
Bolling_Point:
|
249.4±9.0 °C at 760 mmHg
|
|
Water_Solubility:
|
5 g/100 mL (25 ºC)
|
|
PSA:
|
26.30000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 2449 ', '2 . Molar volume 875 ', '3 . Parachor （902K）2099 ', '4 . Surface tension 331 ', '5 . Polarizability 970']
|
|
Computational_Chemistry:
|
['1. XlogP :06 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 263 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :124 ', '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:
|
13-17 °C(lit.)
|
|
MF:
|
C5H6O2
|
|
Exact_Mass:
|
98.036781
|
|
FW:
|
98.100
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance 易挥发的针晶。 ', '2. Density（g/mL，25/4℃）1094 ', '3. Melting point（℃）13~17 ', '4. Boiling point（℃，12mmHg)55-56（16kpa） ', ' (℃，2×103Pa）163 ', ' （℃，Atmospheric pressure）297-299 ', '5. Refractive index(n20D)14476 ', '6. Flash point（℃）68 ', '7Water 溶性Soluble in Water ，and 三乙胺溶液一起加热转化成β体。']
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