|
FW:
|
98.18610
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|
MF:
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C7H14
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Refractive_Index:
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n20/D 1.392(lit.)
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More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）0683 ', '3 气相标准. Combustion heat(焓)(kJ·mol-1)-46761 ', '4 气相标准声称热(焓)( kJ·mol-1)-793 ', '5 . Boiling point（ºC,Atmospheric pressure）72 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index(n20D)13818 ', '8 . Flash point（ºF）10 ', '9 液相标准. Combustion heat(焓)(kJ·mol-1)-46448 ', '10液相标准声称热(焓)( kJ·mol-1)-1106 ', '11 . Vapor pressure（377ºC）231mmHg ', '12 液相标准热熔(J·mol-1·K-1)217 ', '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 ', '20 . Melting point（ºC）-1365']
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Bolling_Point:
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72 °C(lit.)
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Exact_Mass:
|
98.10960
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Computational_Chemistry:
|
['1. XlogP :31 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :549 ', '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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Molecular_Structure:
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['1 . Molar refractive index 3416 ', '2 . Molar volume 1392 ', '3 . Parachor （902K）2947 ', '4 . Surface tension 200 ', '5 . Dielectric constant 207 ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1354']
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LogP:
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2.60860
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Flash_Point:
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10 °F
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Density:
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0.683 g/mL at 25 °C(lit.)
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