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Molecular_Structure:
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['1. Molar refractive index 2873 ', '2. Molar volume 1196 ', '3. Parachor （902K）2883 ', '4. Surface tension 337 ', '5. Dielectric constant N/A ', '6. Polarizability 1139 ', '7. Single isotope mass 172034729 Da ', '8. Nominal mass 172 Da ', '9. Average mass 1721025 Da']
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LogP:
|
0.77440
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Flash_Point:
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109.6ºC
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Refractive_Index:
|
1.395
|
|
FW:
|
172.10200
|
|
Density:
|
1.438g/cm3
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|
Bolling_Point:
|
195-198ºC
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Computational_Chemistry:
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['1. XlogP :1 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 575 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :165 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
PSA:
|
57.53000
|
|
MF:
|
C5H7F3O3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）195-198 ', '6 . Boiling point（ºC，40mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '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,25ºC）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:
|
0.00215mmHg at 25°C
|
|
Exact_Mass:
|
172.03500
|
