|
LogP:
|
1.05
|
|
Exact_Mass:
|
174.089203
|
|
Vapor_Pressure:
|
0.3±0.4 mmHg at 25°C
|
|
MF:
|
C8H14O4
|
|
Flash_Point:
|
76.7±0.0 °C
|
|
Water_Solubility:
|
immiscible
|
|
FW:
|
174.194
|
|
PSA:
|
52.60000
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Refractive_Index:
|
1.421
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4262 ', '2 . Molar volume 1679 ', '3 . Parachor （902K）3972 ', '4 . Surface tension 313 ', '5 . Polarizability 1689']
|
|
More_Info:
|
['物性数据 1 . Appearance Colourless Liquid ', '2 相对. Density （20/4℃）1020 ', '3 折光率1413 ', '4 . Flash point 76°C ', '5 . Boiling point 201℃，78-80℃（133kPa） ', '6 . Solubility Insoluble in Water ', '7 相对. Density（20℃，4℃）10225 ', '8 相对. Density（25℃，4℃）09552868 ', '9 常温. Refractive index（n20）14126']
|
|
Computational_Chemistry:
|
['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :146 ', '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']
|
|
Bolling_Point:
|
204.4±8.0 °C at 760 mmHg
|
