|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 5270 ', '2 . Molar volume （m3/mol）2392 ', '3 . Parachor （902K）5237 ', '4 . Surface tension 229 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 2089']
|
|
LogP:
|
2.93480
|
|
Flash_Point:
|
>230 °F
|
|
Refractive_Index:
|
n20/D 1.369(lit.)
|
|
FW:
|
348.16200
|
|
Density:
|
1.442 g/mL at 25 °C(lit.)
|
|
Bolling_Point:
|
89-90 °C3 mm Hg(lit.)
|
|
Computational_Chemistry:
|
['1. XlogP :36 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :12 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 465 ', '7. Heavy Atom Count :22 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :416 ', '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']
|
|
PSA:
|
46.53000
|
|
MF:
|
C10H9F9O3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）1442 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，003mmHg）89-90 ', '7 . Refractive indexn 20/D 1369(lit) ', '8 . Flash point（°F）>230 ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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']
|
|
Exact_Mass:
|
348.04100
|
