|
Refractive_Index:
|
1.401
|
|
Vapor_Pressure:
|
20.2mmHg at 25°C
|
|
Flash_Point:
|
13.1ºC
|
|
LogP:
|
3.22270
|
|
Bolling_Point:
|
118ºC at 760mmHg
|
|
FW:
|
114.22900
|
|
More_Info:
|
['1 . Appearance Unknow。 ', '2 . Density（g/mL,25°C）073 ', '3 溶度参数(J·cm-3)0515057 ', '4 van der Waals面积（cm2·mol-1）1232×1010 ', '5 . Boiling point（ºC,Atmospheric pressure）118 ', '6 van der Waals体积（cm3·mol-1）88700 ', '7 气相标准. Combustion heat(焓)(kJ·mol-1)-550568 ', '8 . Flash point（ºC）6 ', '9 气相标准声称热(焓)( kJ·mol-1)-21485 ', '10 气相标准熵(J·mol-1·K-1) 42472 ', '11 气相标准生成自由能( kJ·mol-1)229 ', '12 . Critical pressure（MPa）281 ', '13 临界. Density（g·cm-3）0251 ', '14 临界体积（cm3·mol-1）455 ', '15 临界压缩因子0266 ', '16 . Critical temperature（K）30335 ', '17 偏心因子0305 ', '18 气相标准热熔(J·mol-1·K-1)18799 ', '19 液相标准. Combustion heat(焓)(kJ·mol-1)-546769 ', '20 液相标准声称热(焓)( kJ·mol-1)-25284 ', '21 液相标准热熔(J·mol-1·K-1)239']
|
|
Computational_Chemistry:
|
['1. XlogP :41 ', '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 :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :428 ', '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:
|
C8H18
|
|
Exact_Mass:
|
114.14100
|
|
Molecular_Structure:
|
['1. Molar refractive index 3907 ', '2. Molar volume 1606 ', '3. Parachor （902K）3455 ', '4. Surface tension 214 ', '5. Dielectric constant 194 ', '6. Polarizability 1549 ', '7. Single isotope mass 114140851 Da ', '8. Nominal mass 114 Da ', '9. Average mass 1142285 Da']
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|
Density:
|
0.711g/cm3
|
