|
Bolling_Point:
|
243.0±0.0 °C at 760 mmHg
|
|
Vapor_Density:
|
4.3 (vs air)
|
|
LogP:
|
1.31
|
|
More_Info:
|
['1 . Appearance White 片状or 蜡状结晶体 ', '2 相对. Density（g/mL,20/4℃）11088723 ', '3 . Relative vapor density（g/mL,Atmosphere =1）43 ', '4 . Melting point（ºC）55~57 ', '5 . Boiling point（ºC,Atmospheric pressure）243 ', '6 . Flash point（ºC）132 ', '7 . Spontaneous ignition point or ignition temperature（ºC）420 ', '8 . Saturated vapor pressure（kPa,20ºC）<00013 ', '9. Solubility 易Soluble in Ethanol 醚丙酮苯and 乙酸乙酯，微Soluble in Water 。 ', '10 相对. Density（25℃，4℃）09583234']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 295 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :75 ', '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:
|
56 °C
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Exact_Mass:
|
124.052429
|
|
MF:
|
C7H8O2
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Refractive_Index:
|
1.535
|
|
Water_Solubility:
|
40 g/L (25 ºC)
|
|
PSA:
|
29.46000
|
|
Flash_Point:
|
120.8±4.8 °C
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3481 ', '2 . Molar volume 1118 ', '3 . Parachor （902K）2789 ', '4 . Surface tension 386 ', '5 . Polarizability 1380']
|
|
FW:
|
124.137
|
