|
FW:
|
122.164
|
|
MF:
|
C8H10O
|
|
Water_Solubility:
|
4.9 g/L (25 ºC)
|
|
Refractive_Index:
|
1.537
|
|
Vapor_Pressure:
|
0.1±0.4 mmHg at 25°C
|
|
Bolling_Point:
|
219.0±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
122.073166
|
|
PSA:
|
20.23000
|
|
Vapor_Density:
|
4.2 (vs air)
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 202 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :726 ', '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 3768 ', '2 . Molar volume 1206 ', '3 . Parachor （902K）2988 ', '4 . Surface tension 376 ', '5 . Polarizability 1493']
|
|
LogP:
|
2.47
|
|
Melting_Point:
|
40-42 °C(lit.)
|
|
Flash_Point:
|
100.6±0.0 °C
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance Colourless 针状结晶 ', '2. Melting point（℃）46 ', '3. Boiling point（℃）219 ', '4. Flash point（℃）104 ', '5. Solubility Soluble in Ethanol Ethyl ether 苯and 二硫化碳，微Soluble in Water 。 ', '6相对. Density（20℃，4℃）10110 ', '7. Refractive index (n25D) 15239 ', '8常温. Refractive index（n20）15328d ', '9. Critical temperature（ºC）44325 ', '10气相标准. Combustion heat(焓)(kJ·mol-1)-44431 ', '11气相标准声称热(焓)( kJ·mol-1) -1441 ', '12晶相相标准. Combustion heat(焓)(kJ·mol-1)-43528 ', '13晶相标准声称热(焓)( kJ·mol-1)-2244']
|
