|
Refractive_Index:
|
1.576
|
|
Vapor_Pressure:
|
0.0±1.3 mmHg at 25°C
|
|
Flash_Point:
|
248.8±30.4 °C
|
|
LogP:
|
1.92
|
|
Bolling_Point:
|
487.8±51.0 °C at 760 mmHg
|
|
PSA:
|
152.34000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 8121 ', '2 . Molar volume （m3/mol）2453 ', '3 . Parachor （902K）6451 ', '4 . Surface tension 478 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 3219']
|
|
Computational_Chemistry:
|
['1 . XlogP 31 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 8 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 127 ', '7 . Heavy Atom Count 22 ', '8 . Topological Polar Surface Area -1 ', '9 . Complexity 467 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
180 °C (dec.)(lit.)
|
|
MF:
|
C13H19N3O5S
|
|
Exact_Mass:
|
329.104553
|
|
FW:
|
329.372
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）180 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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']
|
