|
Refractive_Index:
|
1.523
|
|
Vapor_Pressure:
|
0.7±0.4 mmHg at 25°C
|
|
Flash_Point:
|
66.7±0.0 °C
|
|
LogP:
|
1.14
|
|
Bolling_Point:
|
184.3±15.0 °C at 760 mmHg
|
|
PSA:
|
26.02000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 3469 ', '2 . Molar volume （m3/mol）1136 ', '3 . Parachor （902K）2802 ', '4 . Surface tension 369 ', '5 . Polarizability 1375']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 26 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :77 ', '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']
|
|
MF:
|
C7H8FN
|
|
Exact_Mass:
|
125.064079
|
|
FW:
|
125.144
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1形状Liquid ', '1. Density（g/mL ,20/4℃）1102 ', '2. Refractive index（nD20）1512 ', '3. Flash point（℃）66 ', '4. Boiling point（ºC）182-183 ', '5. Spontaneous ignition point or ignition temperature（ºC）67']
|
