|
Refractive_Index:
|
1.417
|
|
Vapor_Pressure:
|
2.1±0.6 mmHg at 25°C
|
|
Flash_Point:
|
47.3±7.7 °C
|
|
LogP:
|
0.43
|
|
Bolling_Point:
|
144.0±8.0 °C at 760 mmHg
|
|
FW:
|
118.174
|
|
PSA:
|
29.46000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 295 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :54 ', '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:
|
C6H14O2
|
|
Exact_Mass:
|
118.099380
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3309 ', '2 . Molar volume 1314 ', '3 . Parachor （902K）3023 ', '4 . Surface tension 279 ', '5 . Polarizability 1311']
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 透明Liquid 。 ', '2 . Density（g/mL,20/4℃） 08970 ', '3 . Melting point（ºC）<120 ', '4 . Boiling point（ºC,Atmospheric pressure）152 ', '5 . Refractive index（20ºC） 1415 ', '6 . Flash point（ºC） 50 ', '7. Solubility 与多数有机溶剂混溶，Soluble in Water 。 ', '8 相对. Density（25℃，4℃）08935 ', '9 常温. Refractive index（n25）14132']
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