|
FW:
|
178.27100
|
|
MF:
|
C12H18O
|
|
Refractive_Index:
|
1.486
|
|
More_Info:
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['1. Appearance Colourless 透明Liquid 。强烈的果香and 蜜甜香，略带清香，稀释后有栀子花样香气。与栀子花精油中芳樟醚，玫瑰醚惕恪酸酯类的配合协调更显示出甜鲜花香韵与清甜果香的特质。 ', '2. Boiling point（℃）237 ', '3 相对. Density（20℃，4℃）09098 ', '4 相对. Density（25℃，4℃）09048 ', '5 常温. Refractive index（n20）14792 ', '6 常温. Refractive index（n25）14772']
|
|
Vapor_Pressure:
|
0.101mmHg at 25°C
|
|
Bolling_Point:
|
236 °C
|
|
Exact_Mass:
|
178.13600
|
|
PSA:
|
9.23000
|
|
Computational_Chemistry:
|
['1. XlogP :33 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :114 ', '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:
|
['1 . Molar refractive index 5603 ', '2 . Molar volume 1950 ', '3 . Parachor （902K）4600 ', '4 . Surface tension 309 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 2221']
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|
LogP:
|
3.24930
|
|
Flash_Point:
|
93.7ºC
|
|
Density:
|
0.91
|
