|
LogP:
|
2.11660
|
|
MF:
|
C6H10
|
|
Bolling_Point:
|
75.5ºC at 760 mmHg
|
|
Exact_Mass:
|
82.07830
|
|
More_Info:
|
['1 . Appearance Unknow。 ', '2 . Density（g/mL,25/4℃） 0781 ', '3 液相标准. Combustion heat(焓)(kJ·mol-1)-37701 ', '4 液相标准声称热(焓)( kJ·mol-1)-201 ', '5 . Boiling point（ºC,Atmospheric pressure）75-76 ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index 1435 ', '8 . Flash point（ºC） -18 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-38022 ', '10气相标准声称热(焓)( kJ·mol-1) 120 ', '11气相标准熵(J·mol-1·K-1) 31211 ', '12气相标准生成自由能( kJ·mol-1)1240 ', '13气相标准热熔(J·mol-1·K-1)10213 ', '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']
|
|
Refractive_Index:
|
n20/D 1.435(lit.)
|
|
Density:
|
0.781 g/mL at 25ºC(lit.)
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2731 ', '2 . Molar volume 1035 ', '3 . Parachor （902K）2261 ', '4 . Surface tension : 226 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1082']
|
|
FW:
|
82.14360
|
|
Computational_Chemistry:
|
['1. XlogP :21 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :544 ', '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']
|
|
Vapor_Pressure:
|
115mmHg at 25°C
|
