|
Refractive_Index:
|
1.517
|
|
Vapor_Pressure:
|
0.1±0.4 mmHg at 25°C
|
|
Flash_Point:
|
106.7±14.5 °C
|
|
LogP:
|
2.58
|
|
Bolling_Point:
|
213.3±0.0 °C at 760 mmHg
|
|
FW:
|
164.244
|
|
More_Info:
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['. Appearance Colourless or 淡Yellow 性Liquid ,有香气。 . Density(g/mL,25℃)0966 . Relative vapor density(g/mL,Atmosphere =1)Unknow . Melting point(ºC)84-85 . Boiling point(ºC,Atmospheric pressure)238 . Boiling point(ºC,173kpa) 119-121℃ . Refractive index1509 . Flash point(ºC)110 . Specific rotation(º)Unknow . Spontaneous ignition point or ignition temperature(ºC): Unknow . Vapor pressure(mmHg,20ºC)Unknow . Saturated vapor pressure(kPa, ºC)Unknow . Combustion heat(KJ/mol)Unknow . Critical temperature(ºC)Unknow . Critical pressure(KPa)Unknow . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow . Upper limit of explosion(%,V/V)Unknow . Lower limit of explosion(%,V/V)Unknow . Solubility Insoluble in Water ,Soluble in Ethanol 等有机溶剂。']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :123 ', '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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|
Melting_Point:
|
31-33 °C(lit.)
|
|
MF:
|
C11H16O
|
|
Exact_Mass:
|
164.120117
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5120 ', '2 . Molar volume 1693 ', '3 . Parachor (902K)4150 ', '4 . Surface tension 361 ', '5 . Dielectric constant ', '6 偶极距(10-24cm3)7 . Polarizability 2029']
|
|
Density:
|
1.0±0.1 g/cm3
|
|
PSA:
|
20.23000
|