|
MF:
|
C8H18O
|
|
Bolling_Point:
|
169.0±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
130.135757
|
|
More_Info:
|
['一物性数据 ', '1 . Appearance Colourless Liquid ', '2 . Density（g/mL ,20/4℃） 08258 ', '3 . Refractive index（nD20） 1427 ', '4 . Flash point（℃）68 ', '5 . Melting point（℃）-45 ', '6 . Boiling point（ºC） 171 ', '7 自燃点（ºF）150 ', '8 蒸汽压（kpa,20ºC）1 mmHg ', '9 蒸汽. Density45（Atmosphere =1） ', '10 . Solubility Insoluble in Water ，Soluble in 酒精and 大多数动植物油。']
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|
Melting_Point:
|
-45ºC
|
|
PSA:
|
20.23000
|
|
Flash_Point:
|
65.6±0.0 °C
|
|
Refractive_Index:
|
1.426
|
|
Density:
|
0.8±0.1 g/cm3
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4060 ', '2 . Molar volume 1584 ', '3 . Parachor （902K）3645 ', '4 . Surface tension 280 ', '5 . Polarizability 1609']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :525 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
FW:
|
130.228
|
|
LogP:
|
2.82
|
|
Vapor_Pressure:
|
0.5±0.6 mmHg at 25°C
|
