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Molecular_Structure:
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['1 . Molar refractive index 4262 ', '2 . Molar volume 1679 ', '3 . Parachor （902K）3972 ', '4 . Surface tension 313 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1689']
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LogP:
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0.74870
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Flash_Point:
|
207 °F
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Refractive_Index:
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n20/D 1.425(lit.)
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FW:
|
174.19400
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Density:
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1.052 g/mL at 25 °C(lit.)
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Bolling_Point:
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110 °C19 mm Hg(lit.)
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :146 ', '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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PSA:
|
52.60000
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MF:
|
C8H14O4
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|
More_Info:
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['1 . Appearance Liquid ', '2 . Density（g/mL,25℃）1052 ', '3相对. Density（20℃，4℃）10523 ', '4 相对. Density（25℃，4℃）0992985 ', '5. Boiling point（ºC）11019 ', '6 . Boiling point（ºC, 25hPa）110 ', '7 . Refractive indexn20/D 14256 ', '8 . Flash point（ºC）9700 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（20ºC）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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Vapor_Pressure:
|
0.11mmHg at 25°C
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|
Exact_Mass:
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174.08900
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