Molecular_Structure:
|
['1 . Molar refractive index 3215 ', '2 . Molar volume (m3/mol)1041 ', '3 . Parachor (902K)2690 ', '4 . Surface tension :446 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10 -24cm 3)无可用 ', '7 . Polarizability 1274']
|
Flash_Point:
|
134.7±7.4 °C
|
Refractive_Index:
|
1.530
|
FW:
|
128.560
|
Density:
|
1.2±0.1 g/cm3
|
Bolling_Point:
|
257.9±20.0 °C at 760 mmHg
|
Computational_Chemistry:
|
['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 258 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :768 ', '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']
|
LogP:
|
0.56
|
Melting_Point:
|
50 °C
|
PSA:
|
25.78000
|
MF:
|
C5H5ClN2
|
More_Info:
|
['1 . Appearance 黑色or 深棕色粉末 ', '2 . Density(g/mL,25℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)50 ', '5 . Boiling point(ºC,Atmospheric pressure)58 ', '6 . Boiling point(ºC,01mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºF)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,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 Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Unknow']
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
Exact_Mass:
|
128.014130
|