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Refractive_Index:
|
1.547
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|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Flash_Point:
|
116.4±12.6 °C
|
|
LogP:
|
1.87
|
|
Bolling_Point:
|
265.5±13.0 °C at 760 mmHg
|
|
PSA:
|
46.53000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3988 ', '2 . Molar volume 1166 ', '3 . Parachor （902K）3220 ', '4 . Surface tension 580 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1581']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :4 ', '6. TPSA 465 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :136 ', '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:
|
125-128 °C(lit.)
|
|
MF:
|
C8H8O3
|
|
Exact_Mass:
|
152.047348
|
|
FW:
|
152.147
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Freezing_Point:
|
131℃
|
|
More_Info:
|
['1 . Appearance Colourless 结晶or White 结晶性粉末, 无气味or 微有刺激性气味。 ', '2 相对. Density（20℃，4℃）112081372 ', '3 相对. Density（25℃，4℃）110971504 ', '4 . Melting point（ºC）131 ', '5 . Boiling point（ºC,Atmospheric pressure）275(分解) ', '6 . Boiling point（ºC, mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '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 微Soluble in Water ，Soluble in 醇醚丙酮，微Soluble in 苯四氯化碳。 ', '20 凝固点（ºC）131']
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