|
Refractive_Index:
|
1.522
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Flash_Point:
|
136.1±19.3 °C
|
|
LogP:
|
1.91
|
|
Bolling_Point:
|
301.5±11.0 °C at 760 mmHg
|
|
PSA:
|
35.33000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4107 ', '2 . Molar volume （m3/mol）1346 ', '3 . Parachor （902K）3417 ', '4 . Surface tension 414 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1628']
|
|
Computational_Chemistry:
|
['1 . XlogP 21 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 32 ', '7 . Heavy Atom Count 8 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 805 ', '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']
|
|
Melting_Point:
|
45-50 °C(lit.)
|
|
MF:
|
C5H10ClNS
|
|
Exact_Mass:
|
151.022247
|
|
FW:
|
151.658
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）45-50 ', '5 . Boiling point（ºC,Atmospheric pressure）113 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index-Unknow ', '8 . Flash point（ºF）>230 ', '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,20 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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']
|
