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Refractive_Index:
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n20/D 1.500(lit.)
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Vapor_Pressure:
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0.449mmHg at 25°C
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Flash_Point:
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>230 °F
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LogP:
|
2.19350
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Bolling_Point:
|
273-274 °C(lit.)
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FW:
|
130.22800
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PSA:
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20.23000
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Computational_Chemistry:
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['1. XlogP :25 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :576 ', '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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MF:
|
C8H18O
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Exact_Mass:
|
130.13600
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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 4056 ', '2 . Molar volume (cm3/mol)1588 ', '3 . Parachor (902K)3619 ', '4 表面张力(dyne/cm)269 ', '5 . Polarizability (10-24cm3)1608']
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Density:
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1.623 g/mL at 25 °C(lit.)
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More_Info:
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['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）Unknow ', '3相对. Density（20℃，4℃）082 ', '4常温. Refractive index（n20）1432 ', '5. Boiling point（ºC,Atmospheric pressure）164 ', '6常温. Refractive index（n25）1430 ', '7. Refractive indexUnknow ', '8. Flash point（ºC）Unknow ', '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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