|
FW:
|
242.398
|
|
Refractive_Index:
|
1.452
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Flash_Point:
|
149.6±12.5 °C
|
|
LogP:
|
6.62
|
|
Bolling_Point:
|
330.4±5.0 °C at 760 mmHg
|
|
More_Info:
|
['1 气相标准. Combustion heat(焓)(kJ·mol-1)-94912 ', '2 气相标准声称热(焓)( kJ·mol-1) -6990 ', '3 相对. Density（25℃，4℃）0842380 ', '4 . Melting point（ºC）53 ', '5 . Boiling point（ºC,Atmospheric pressure）339 ', '6 . Boiling point（ºC,100mmHg）257（133kpa） ', '7 常温. Refractive index（n25）1425480 ', '8 . Flash point（ºC）>110 ', '9 液相标准. Combustion heat(焓)(kJ·mol-1)-93784 ', '10 液相标准声称热(焓)( kJ·mol-1)-8117 ', '11 晶相相标准. Combustion heat(焓)(kJ·mol-1)-93284 ', '12 晶相标准声称热(焓)( kJ·mol-1)-8617 ', '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 Soluble in Ethanol 丙酮 Ethyl ether ，Insoluble in Water 。']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :13 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :166 ', '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']
|
|
Melting_Point:
|
51-53 °C(lit.)
|
|
MF:
|
C15H30O2
|
|
Exact_Mass:
|
242.224579
|
|
Molecular_Structure:
|
['1 . Molar refractive index 7332 ', '2 . Molar volume 2656 ', '3 . Parachor （902K）6493 ', '4 . Surface tension 357 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 2906']
|
|
Density:
|
0.9±0.1 g/cm3
|
|
PSA:
|
37.30000
|
