|
Refractive_Index:
|
1.463
|
|
Vapor_Pressure:
|
0.5±0.7 mmHg at 25°C
|
|
Flash_Point:
|
70.0±0.0 °C
|
|
LogP:
|
1.83
|
|
Bolling_Point:
|
170.3±8.0 °C at 760 mmHg
|
|
PSA:
|
20.23000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3396 ', '2 . Molar volume 1234 ', '3 . Parachor （902K）2863 ', '4 . Surface tension 289 ', '5 . Polarizability 1346']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :628 ', '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:
|
-10ºC
|
|
MF:
|
C7H14O
|
|
Exact_Mass:
|
114.104462
|
|
FW:
|
114.186
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless Liquid ', '2 . Density（g/mL 25ºC）0917 ', '3 相对. Density（20℃，4℃）09170 ', '4 . Melting point（ºC）-92 ', '5 . Boiling point（ºC，Atmospheric pressure）1735 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（n20/D）14616 ', '8 . Flash point（ºC，）70 ', '9 气相标准. Combustion heat(焓)(kJ·mol-1)-44079 ', '12 气相标准声称热(焓)( kJ·mol-1) -3475 ', '11 液相标准. Combustion heat(焓)(kJ·mol-1)-43422 ', '12 液相标准声称热(焓)( kJ·mol-1)-4132 ', '13 液相标准热熔(J·mol-1·K-1)2655 ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (mg/mL)Unknow']
|
