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Refractive_Index:
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n20/D 1.407(lit.)
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LogP:
|
2.75270
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Bolling_Point:
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98.5ºC at 760mmHg
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More_Info:
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['1. Appearance Colourless 挥发性Liquid ', '2. Melting point（℃）-1095 ', '3. Boiling point（℃）97~99 ', '4相对. Density（Water =1）0708 ', '5相对蒸气. Density（Atmosphere =1）34 ', '6. Saturated vapor pressure（kPa）116（377℃） ', '7. Critical pressure（MPa）284 ', '8Octanol /Water 分配系数356 ', '9. Flash point（℃）-8 ', '10引燃温度（℃）246 ', '11. Upper limit of explosion（%）78 ', '12. Lower limit of explosion（%）10 ', '13. Solubility Insoluble in Water ，Soluble in Ethanol 丙酮 Ethyl ether 石油醚。 ', '14液相标准. Combustion heat(焓)(kJ·mol-1)-465022 ', '15液相标准声称热(焓)( kJ·mol-1)-10514 ', '16液相标准热熔(J·mol-1·K-1)209']
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Molecular_Structure:
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['1. Molar refractive index 3453 ', '2. Molar volume 1376 ', '3. Parachor （902K）2978 ', '4. Surface tension 218 ', '5. Dielectric constant 250 ', '6. Polarizability 1369 ', '7. Single isotope mass 9810955 Da ', '8. Nominal mass 98 Da ', '9. Average mass 981861 Da']
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Computational_Chemistry:
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['1. XlogP 32 ', '2. Hydrogen Bond Donor Count 0 ', '3. Hydrogen Bond Acceptor Count 0 ', '4. Rotatable Bond Count 3 ', '5. Isotope Atom Count N/A ', '6. TPSA 0 ', '7. Heavy Atom Count 7 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 44 ', '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 1 ', '15. Covalently-Bonded Unit Count 1']
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Melting_Point:
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-109.5ºC
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MF:
|
C7H14
|
|
Exact_Mass:
|
98.10960
|
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FW:
|
98.18610
|
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Density:
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0.713g/cm3
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