|
FW:
|
166.174
|
|
MF:
|
C9H10O3
|
|
Water_Solubility:
|
slightly soluble
|
|
Flash_Point:
|
119.0±15.3 °C
|
|
Refractive_Index:
|
1.574
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Bolling_Point:
|
295.1±20.0 °C at 760 mmHg
|
|
Exact_Mass:
|
166.062988
|
|
PSA:
|
46.53000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :5 ', '6. TPSA 465 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :147 ', '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']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4619 ', '2 . Molar volume 1400 ', '3 . Parachor （902K）3637 ', '4 . Surface tension 455 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1831']
|
|
LogP:
|
1.72
|
|
Melting_Point:
|
76 °C
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance White to 淡Yellow 针状结晶，香气类似香兰素，但香气更为强烈。其香气强度为香兰素的3-4倍。 ', '2. Melting point（℃）77 ', '3 . Boiling point（ºC, 173kpa）149~150 ', '4. Solubility Soluble in 醇醚氯仿，也Soluble in 氢氧化钠溶液。 ', '5 . Flash point（ºC）145 ', '6 相对. Density(d204) 1186 ', '7 燃点（℃）46']
|
