|
MF:
|
C6H5ClFN
|
|
Water_Solubility:
|
slightly soluble
|
|
Bolling_Point:
|
205.6±20.0 °C at 760 mmHg
|
|
Exact_Mass:
|
145.009460
|
|
More_Info:
|
['1 . Appearance 浅Yellow or 棕色Liquid ', '2 （g/cm3,20℃）1311 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,035mm）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（℃035mm）Unknow ', '9 Unknow. Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）98 ', '11 . Vapor pressure（kPa,25ºC）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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Water Unknow']
|
|
PSA:
|
26.02000
|
|
Flash_Point:
|
98.9±0.0 °C
|
|
Refractive_Index:
|
1.570
|
|
Density:
|
1.3±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3537 ', '2 . Molar volume （m3/mol）1078 ', '3 . Parachor （902K）3761 ', '4 . Surface tension 429 ', '5 . Polarizability 1402 ', '6 性状该品为淡黄色液体 ', '7 沸点104℃-107℃ ', '8 闪点98℃ ', '9 折光率15600 ', '10比重1311']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 26 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :991 ', '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']
|
|
FW:
|
145.562
|
|
LogP:
|
1.65
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
