|
Refractive_Index:
|
1.431
|
|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
|
Flash_Point:
|
106.4±21.8 °C
|
|
LogP:
|
-0.98
|
|
Bolling_Point:
|
256.0±0.0 °C at 760 mmHg
|
|
FW:
|
178.226
|
|
PSA:
|
47.92000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :N/A ', '6. TPSA 479 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :775 ', '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']
|
|
MF:
|
C8H18O4
|
|
Exact_Mass:
|
178.120514
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4588 ', '2 . Molar volume 1771 ', '3 . Parachor （902K）4261 ', '4 . Surface tension 334 ', '5 . Polarizability 1818']
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 无臭的黏稠Liquid 。 ', '2 . Boiling point（ºC,1013kPa）256 ', '3 . Melting point(凝固点)（ºC）-187 ', '4 相对. Density（g/mL,20/20ºC）10208 ', '5 . Refractive index（20ºC）14376 ', '6 黏度（mPa·s,20ºC）78 ', '7 . Flash point（ºC,开口）135 ', '8 蒸发热（KJ/mol）536 ', '9 比热容（J/(kg·K)）218 ', '10 . Vapor pressure（kPa,20ºC）000133 ', '11 . Vapor pressure（kPa,130ºC）133 ', '12 . Vapor pressure（kPa,167ºC）667 ', '14 . Solubility 与Water 混溶。20℃时在庚烷中溶解2%。']
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