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Refractive_Index:
|
1.512
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|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
96.8±21.8 °C
|
|
LogP:
|
1.10
|
|
Bolling_Point:
|
236.4±20.0 °C at 760 mmHg
|
|
PSA:
|
50.44000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3030 ', '2 . Molar volume 1010 ', '3 . Parachor （902K）2610 ', '4 . Surface tension 445 ', '5 . Polarizability 1201']
|
|
Computational_Chemistry:
|
['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 504 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :122 ', '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:
|
133-137 °C
|
|
MF:
|
C6H6O3
|
|
Exact_Mass:
|
126.031693
|
|
FW:
|
126.110
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 粉末 ', '2 . Density（g/mL）1248 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）139~140 ', '5 . Boiling point（ºC）2364 ', '6 . Boiling point（ºC,17mmHg）不确定 ', '7 . Refractive index1511 ', '8 . Flash point（ºC）968 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 蒸汽压（20ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']
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