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FW:
|
146.141
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|
MF:
|
C6H10O4
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|
Water_Solubility:
|
1.44 g/100 mL (15 ºC)
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Refractive_Index:
|
1.476
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Vapor_Pressure:
|
0.0±1.6 mmHg at 25°C
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|
Bolling_Point:
|
338.5±15.0 °C at 760 mmHg
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|
Exact_Mass:
|
146.057907
|
|
PSA:
|
74.60000
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|
Vapor_Density:
|
5 (vs air)
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 746 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :114 ', '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']
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Molecular_Structure:
|
['1 . Molar refractive index 3297 ', '2 . Molar volume 1168 ', '3 . Parachor （902K）3144 ', '4 . Surface tension 524 ', '5 . Polarizability 1307']
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|
LogP:
|
0.08
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|
Melting_Point:
|
151-154 °C(lit.)
|
|
Flash_Point:
|
196.1±0.0 °C
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 结晶体，无臭，微有酸味，有骨头烧焦的气味。 ', '2 . Density（g/mL,25/4℃）1366 ', '3 相对. Density（20℃，4℃）1099153 ', '4 . Melting point（ºC）153 ', '5 . Boiling point（ºC，101kpa）3375， 1595ºC ', '6 气相标准. Combustion heat(焓)(kJ·mol-1)-292516 ', '7 气相标准声称热(焓)( kJ·mol-1) -86504 ', '8 . Flash point（ºC）196 ', '9 晶相相标准. Combustion heat(焓)(kJ·mol-1)-279587 ', '10 晶相标准声称热(焓)( kJ·mol-1)-99433 ', '11 晶相标准熵(J·mol-1·K-1) 2198 ', '12 晶相标准热熔(J·mol-1·K-1)1965 ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）56785 ', '15 . Critical pressure（MPa）385 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 易Soluble in Ethanol 丙酮，微Soluble in 醚，稍Soluble in Water ，Insoluble in 苯and 石油醚。']
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