|
FW:
|
194.225
|
|
MF:
|
C8H18O5
|
|
Water_Solubility:
|
soluble
|
|
Refractive_Index:
|
1.455
|
|
Vapor_Pressure:
|
0.0±1.6 mmHg at 25°C
|
|
Bolling_Point:
|
328.0±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
194.115417
|
|
PSA:
|
68.15000
|
|
Vapor_Density:
|
6.7 (vs air)
|
|
Computational_Chemistry:
|
['1. XlogP :-16 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :N/A ', '6. TPSA 682 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :786 ', '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 4741 ', '2 . Molar volume 1746 ', '3 . Parachor （902K）4428 ', '4 . Surface tension 413 ', '5 . Polarizability 1879']
|
|
LogP:
|
-2.23
|
|
Melting_Point:
|
-5.6 °C(lit.)
|
|
Flash_Point:
|
176.7±0.0 °C
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless to 浅稻草色粘稠Liquid ，易吸湿。 ', '2 . Density（g/mL,20/20℃）11248 ', '3 . Relative vapor density（g/mL,Atmosphere =1）67 ', '4 . Melting point（ºC）-62 ', '5 . Boiling point（ºC,Atmospheric pressure）3273 ', '6 . Refractive index（20ºC）14598 ', '7 黏度（mPa·s,20ºC）55 ', '8 . Flash point（ºC,开口）1739 ', '9蒸发热（KJ/mol）724 ', '10 . Spontaneous ignition point or ignition temperature（ºC）340 ', '11 . Vapor pressure（mmHg,ºC）<001 ', '12 . Vapor pressure（kPa, 1539ºC）0133 ', '13 . Vapor pressure（kPa,20ºC）<0000133 ', '14 . Solubility 能与Water 醇混溶。Insoluble in 苯甲苯and 脂肪烃。']
|
