|
FW:
|
164.24400
|
|
MF:
|
C11H16O
|
|
Refractive_Index:
|
n20/D 1.503(lit.)
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）0938 ', '3 相对. Density（20℃，4℃）09436 ', '4 . Melting point（ºC）191 ', '5 . Boiling point（ºC,Atmospheric pressure）2232 ', '6 常温. Refractive index（n20）15439 ', '7 . Refractive index1503 ', '8 . Flash point（℃）201 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '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 Unknow']
|
|
Bolling_Point:
|
80°C 1,5mm
|
|
Exact_Mass:
|
164.12000
|
|
PSA:
|
9.23000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :126 ', '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']
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|
Molecular_Structure:
|
['分子性质数据 ', '1 . Molar refractive index 5131 ', '2 . Molar volume 1801 ', '3 . Parachor （902K）4119 ', '4 . Surface tension 273 ', '5 . Polarizability 2034']
|
|
LogP:
|
2.99270
|
|
Melting_Point:
|
18°C
|
|
Flash_Point:
|
201 °F
|
|
Density:
|
0.938 g/mL at 25 °C(lit.)
|
