|
Refractive_Index:
|
1.413
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|
Vapor_Pressure:
|
1.4±0.3 mmHg at 25°C
|
|
Flash_Point:
|
52.8±0.0 °C
|
|
LogP:
|
2.83
|
|
Bolling_Point:
|
171.0±3.0 °C at 760 mmHg
|
|
FW:
|
144.211
|
|
PSA:
|
26.30000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :893 ', '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']
|
|
MF:
|
C8H16O2
|
|
Exact_Mass:
|
144.115036
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4088 ', '2 . Molar volume 1640 ', '3 . Parachor （902K）3751 ', '4 . Surface tension 273 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1620']
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless Liquid 有香味。 ', '2 相对. Density（g/mL,20/4℃）08815 ', '3 相对. Density（25℃，4℃）0871230 ', '4 . Melting point（ºC）-56 ', '5 . Boiling point（ºC,Atmospheric pressure）172 ', '6 . Boiling point（ºC, mmHg）Unknow ', '7 . Refractive index（20ºC）14152 ', '8 . Flash point（ºC）52 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-491925 ', '10 气相标准声称热(焓)( kJ·mol-1) -51547 ', '11 液相标准. Combustion heat(焓)(kJ·mol-1)-486762 ', '12 液相标准声称热(焓)( kJ·mol-1)-56710 ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）35485 ', '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 与 Ethanol Ethyl ether 苯氯仿混溶，微Soluble in Water 。']
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