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MF:
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C29H26O4
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Density:
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1.2±0.1 g/cm3
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Computational_Chemistry:
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['1. XlogP :52 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 589 ', '7. Heavy Atom Count :33 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :540 ', '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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More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）117-120 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '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（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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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Exact_Mass:
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438.183105
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Vapor_Pressure:
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0.0±1.8 mmHg at 25°C
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Flash_Point:
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323.1±31.5 °C
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PSA:
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58.92000
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Molecular_Structure:
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['1. Molar refractive index 12828 ', '2. Molar volume 3511 ', '3. Parachor （902K）9642 ', '4. Surface tension 568 ', '5. Dielectric constant N/A ', '6. Polarizability 5085 ', '7. Single isotope mass 438183109 Da ', '8. Nominal mass 438 Da ', '9. Average mass 4385143 Da']
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LogP:
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4.14
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Bolling_Point:
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610.7±55.0 °C at 760 mmHg
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FW:
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438.514
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Refractive_Index:
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1.651
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Melting_Point:
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117-120 °C(lit.)
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