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FW:
|
136.19100
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|
MF:
|
C9H12O
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|
Refractive_Index:
|
n20/D 1.508(lit.)
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Vapor_Pressure:
|
0.586mmHg at 25°C
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Bolling_Point:
|
84 °C6 mm Hg(lit.)
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Exact_Mass:
|
136.08900
|
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PSA:
|
9.23000
|
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :827 ', '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']
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Molecular_Structure:
|
['1 . Molar refractive index 4248 ', '2 . Molar volume 1462 ', '3 . Parachor （902K）3405 ', '4 . Surface tension : 293 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1684']
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|
LogP:
|
2.25760
|
|
Flash_Point:
|
175 °F
|
|
Density:
|
0.958 g/mL at 25 °C(lit.)
|
|
More_Info:
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['1 . Appearance Liquid 。 ', '2 . Density（g/mL,20/4℃） 0958 ', '3 相对. Density（20℃，4℃）0962415 ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）90(1733pa) ', '6 常温. Refractive index（n20）15120 ', '7 . Refractive index 1508 ', '8 . Flash point（ºC） 79 ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC） Unknow ', '12 . Saturated vapor pressure（kPa,60ºC） Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC） Unknow ', '15 . Critical pressure（KPa） Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V） Unknow ', '19 . Solubility Unknow']
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