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Molecular_Structure:
|
['1. Molar refractive index 2658 ', '2. Molar volume 1178 ', '3. Parachor （902K）2505 ', '4. Surface tension 204 ', '5. Dielectric constant N/A ', '6. Polarizability 1053 ', '7. Single isotope mass 139060884 Da ', '8. Nominal mass 139 Da ', '9. Average mass 1391189 Da']
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|
LogP:
|
0.63
|
|
Flash_Point:
|
7.5±25.9 °C
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|
Refractive_Index:
|
1.369
|
|
FW:
|
139.119
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Bolling_Point:
|
88.8±35.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :15 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 12 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :989 ', '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:
|
12.03000
|
|
MF:
|
C5H8F3N
|
|
More_Info:
|
['1 . Appearance 熔解状Liquid ', '2 . Density（g/mL,25℃）1210 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）104-106 ', '6 . Boiling point（ºC，15mmHg）Unknow ', '7 . Refractive index(n20/D)1379 ', '8 . Flash point（ºC）26 ', '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 1817 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
|
|
Vapor_Pressure:
|
60.3±0.2 mmHg at 25°C
|
|
Exact_Mass:
|
139.060883
|
