|
Molecular_Structure:
|
['1. Molar refractive index 4729 ', '2. Molar volume 184 ', '3. Parachor （902K）4396 ', '4. Surface tension 325 ', '5. Dielectric constant N/A ', '6. Polarizability 1874 ', '7. Single isotope mass 188104859 Da ', '8. Nominal mass 188 Da ', '9. Average mass 1882209 Da']
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|
LogP:
|
1.28290
|
|
Flash_Point:
|
105.4ºC
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|
Refractive_Index:
|
1.427
|
|
FW:
|
188.22100
|
|
Density:
|
1.01
|
|
Bolling_Point:
|
229ºC
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :147 ', '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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|
Melting_Point:
|
-77ºC
|
|
PSA:
|
52.60000
|
|
MF:
|
C9H16O4
|
|
More_Info:
|
['1 . Appearance Unknow。 ', '2 相对. Density（20℃，4℃）10097 ', '3 相对. Density（25℃，4℃）0998030 ', '4 . Melting point（ºC）-771 ', '5 . Boiling point（ºC,Atmospheric pressure）229 ', '6 . Boiling point（ºC,01mmHg）Unknow ', '7 . Refractive index（n 20/D ）14123 ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）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 Unknow']
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|
Vapor_Pressure:
|
0.0712mmHg at 25°C
|
|
Exact_Mass:
|
188.10500
|
