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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 2887 ', '2 . Molar volume （m3/mol）972 ', '3 . Parachor （902K）2228 ', '4 . Surface tension 275 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 1144']
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LogP:
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2.38
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Flash_Point:
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42.2±0.0 °C
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Refractive_Index:
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1.506
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FW:
|
177.035
|
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Density:
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1.7±0.1 g/cm3
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Bolling_Point:
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91.3±8.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :4 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :108 ', '10. Isotope Atom Count :7 ', '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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MF:
|
C3D7I
|
|
More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）1774 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）88-90 ', '6 . Boiling point（ºC，1mmHg）Unknow ', '7 . Refractive indexn 20/D 14925(lit) ', '8 . Flash point（°F）108 ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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:
|
61.4±0.2 mmHg at 25°C
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|
Exact_Mass:
|
177.003174
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