|
Refractive_Index:
|
1.471
|
|
Vapor_Pressure:
|
7.3±0.2 mmHg at 25°C
|
|
Flash_Point:
|
38.3±0.0 °C
|
|
LogP:
|
2.17
|
|
Bolling_Point:
|
141.6±0.0 °C at 760 mmHg
|
|
PSA:
|
44.45000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 3594 ', '2 . Molar volume 1286 ', '3 . Parachor （902K）2882 ', '4 . Surface tension 251 ', '5 . Polarizability （10 -24cm 3）1424']
|
|
Computational_Chemistry:
|
['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :951 ', '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:
|
8-11 °C
|
|
MF:
|
C5H9NS
|
|
Exact_Mass:
|
115.045570
|
|
FW:
|
115.197
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1 . Appearance Colourless to 浅Yellow Liquid ', '2 . Density（g/mL ,25/4℃）0908 ', '3 . Refractive index（nD20） 14795-14815 ', '4 . Flash point（℃）38 ', '5 . Melting point（℃）8-11 ', '6 . Boiling point（ºC）141-145']
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