|
Refractive_Index:
|
1.548
|
|
Vapor_Pressure:
|
0.0±1.5 mmHg at 25°C
|
|
Flash_Point:
|
141.4±30.7 °C
|
|
LogP:
|
1.32
|
|
Bolling_Point:
|
310.3±52.0 °C at 760 mmHg
|
|
Water_Solubility:
|
Slightly soluble. 2.5 g/100 mL
|
|
PSA:
|
114.76000
|
|
Molecular_Structure:
|
['1. Molar refractive index 5445 ', '2. Molar volume 1757 ', '3. Parachor （902K）4676 ', '4. Surface tension 501 ', '5. Polarizability 2158']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :2 ', '6. TPSA 105 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :191 ', '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:
|
52-52.5°C
|
|
MF:
|
C5H12NO3PS2
|
|
Exact_Mass:
|
228.999619
|
|
FW:
|
229.257
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance White 结晶，有樟脑气味，工业品通常是浅黄棕色的乳剂。 ', '2. Melting point（℃）51~52 ', '3. Boiling point（℃）117（0013kPa） ', '4相对. Density（Water =1）128 ', '5Octanol /Water 分配系数078 ', '6. Flash point（℃）107（CC） ', '7. Solubility 微Soluble in Water ，Soluble in Ethanol 氯仿苯酮类等。']
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