|
Refractive_Index:
|
1.711
|
|
Vapor_Pressure:
|
0.0±3.4 mmHg at 25°C
|
|
Flash_Point:
|
238.2±23.6 °C
|
|
LogP:
|
-2.41
|
|
Bolling_Point:
|
552.7±50.0 °C at 760 mmHg
|
|
Water_Solubility:
|
333 g/L (20 ºC)
|
|
PSA:
|
107.22000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3526 ', '2 . Molar volume 901 ', '3 . Parachor （902K）3103 ', '4 . Surface tension 1405 ', '5 . Dielectric constant （F/m） ', '6 偶极距（D） ', '7 . Polarizability 1397']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :8 ', '6. TPSA 107 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :232 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '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:
|
190-194 °C (dec.)
|
|
MF:
|
C6H8O6
|
|
Exact_Mass:
|
176.032089
|
|
FW:
|
176.124
|
|
Density:
|
2.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 通常是片状，有时是针状的单斜晶体。 2 . Density（g/mL,20/4℃） 1954 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）191（微分解） ', '5 . Boiling point（ºC,Atmospheric pressure）165 ', '6 晶相相标准. Combustion heat(焓)(kJ·mol-1)-23398 ', '7 晶相标准声称热(焓)( kJ·mol-1)-11646 ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）［a］25/D+205°-+215°(c=1) ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 易Soluble in Water ， 略Soluble in Ethanol ， Insoluble in 氯仿 Ethyl ether 苯 石油醚 油类and 脂肪。']
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