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Refractive_Index:
|
1.474
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|
Vapor_Pressure:
|
0.0292mmHg at 25°C
|
|
Flash_Point:
|
108ºC
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Bolling_Point:
|
80-83ºC (1.5 mmHg)
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|
PSA:
|
36.92000
|
|
Molecular_Structure:
|
['1. Molar refractive index 3734 ', '2. Molar volume 1327 ', '3. Parachor (902K)3289 ', '4. Surface tension 377 ', '5. Dielectric constant N/A ', '6. Polarizability 148 ', '7. Single isotope mass 160073559 Da ', '8. Nominal mass 160 Da ', '9. Average mass 1601678 Da']
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Computational_Chemistry:
|
['1. XlogP :-05 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 369 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :105 ', '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:
|
48-52ºC
|
|
MF:
|
C7H12O4
|
|
Exact_Mass:
|
160.07400
|
|
FW:
|
160.16800
|
|
Density:
|
1.2g/cm3
|
|
More_Info:
|
['1 . Appearance White 浆状物 ', '2 . Density(g/mL, 20 ℃ )Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)48-52 ', '5 . Boiling point(ºC,Atmospheric pressure)80-83 ', '6 . Boiling point(ºC,8mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºC)108 ', '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,83-85ºC)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 Soluble in Water ']
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