|
Refractive_Index:
|
1.526
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|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
Flash_Point:
|
123.7±17.2 °C
|
|
LogP:
|
0.64
|
|
Bolling_Point:
|
323.0±27.0 °C at 760 mmHg
|
|
FW:
|
194.227
|
|
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 :4 ', '5. Isotope Atom Count :9 ', '6. TPSA 465 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :191 ', '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:
|
40-41 °C(lit.)
|
|
MF:
|
C11H14O3
|
|
Exact_Mass:
|
194.094299
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5365 ', '2 . Molar volume （m3/mol）1748 ', '3 . Parachor （902K）4401 ', '4 . Surface tension 401 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 2127']
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Density（g/mL ,25/4℃）114 ', '2 . Refractive index（nD20）1541 ', '3 . Flash point（°F）>230 ', '4 . Melting point（℃）40-41 ', '5 . Boiling point（ºC,067kpaor 5 mmHg） 141']
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