|
FW:
|
288.343
|
|
MF:
|
C13H21O3PS
|
|
Refractive_Index:
|
1.514
|
|
More_Info:
|
['1. Appearance 纯品为Colourless Solid or Liquid ，工业品为淡Yellow ，有臭味。 ', '2. Melting point（℃）225~238 ', '3. Boiling point（℃）126（0005kPa） ', '4相对. Density（Water =1）1103（20） ', '5. Saturated vapor pressure（kPa）0005（126℃） ', '6Octanol /Water 分配系数334 ', '7. Solubility Insoluble in Water ，易Soluble in 多数有机溶剂。']
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Bolling_Point:
|
354.4±35.0 °C at 760 mmHg
|
|
Exact_Mass:
|
288.094910
|
|
PSA:
|
70.64000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 608 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :261 ', '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']
|
|
Molecular_Structure:
|
['1. Molar refractive index 7724 ', '2. Molar volume 2563 ', '3. Parachor （902K）6396 ', '4. Surface tension 387 ', '5. Polarizability 3062']
|
|
LogP:
|
3.21
|
|
Melting_Point:
|
22.5-23.8ºC
|
|
Flash_Point:
|
168.1±25.9 °C
|
|
Density:
|
1.1±0.1 g/cm3
|
