|
Refractive_Index:
|
1.452
|
|
Vapor_Pressure:
|
1.3±0.6 mmHg at 25°C
|
|
Flash_Point:
|
44.4±0.0 °C
|
|
LogP:
|
1.73
|
|
Bolling_Point:
|
152.6±8.0 °C at 760 mmHg
|
|
FW:
|
126.196
|
|
PSA:
|
20.23000
|
|
Vapor_Density:
|
4.34 (vs air)
|
|
Computational_Chemistry:
|
['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :129 ', '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']
|
|
MF:
|
C8H14O
|
|
Exact_Mass:
|
126.104462
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3839 ', '2 . Molar volume 1422 ', '3 . Parachor （902K）3386 ', '4 . Surface tension 320 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1522']
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,20/20℃）08545 ', '3 . Relative vapor density（g/mL,Atmosphere =1）434 ', '4 . Melting point（ºC）-68 ', '5 . Boiling point（ºC,Atmospheric pressure）150-151 ', '6 . Refractive index（20ºC）1434 ', '7 . Flash point（ºC）44 ', '8 . Vapor pressure（mmHg, 20ºC）45 ', '9 . Solubility 微Soluble in Water 。']
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