|
Refractive_Index:
|
1.463
|
|
Vapor_Pressure:
|
0.9±0.3 mmHg at 25°C
|
|
Flash_Point:
|
73.3±0.0 °C
|
|
LogP:
|
0.99
|
|
Bolling_Point:
|
181.3±0.0 °C at 760 mmHg
|
|
Water_Solubility:
|
slightly soluble
|
|
PSA:
|
39.44000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3032 ', '2 . Molar volume 1101 ', '3 . Parachor （902K）2661 ', '4 . Surface tension 340 ', '5 . Polarizability 1202']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 394 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :111 ', '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:
|
36ºC
|
|
MF:
|
C6H6O3
|
|
Exact_Mass:
|
126.031693
|
|
FW:
|
126.110
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance Colourless Liquid ，见光变黄，有果香香气，以及蘑菇香菌似的香气。 ', '2. Boiling point（ºC,1013kPa）1813~184 ', '3相对. Density（20℃，4℃）1178621 ', '4. Refractive index（20ºC）1487 ', '5. Flash point（ºC）73 ', '6. Solubility Soluble in Ethanol Ethyl ether ，微Soluble in Water 。 ', '7 常温. Refractive index（n20）14860 ', '8 气相标准. Combustion heat(焓)(kJ·mol-1)-28138 ', '9 气相标准声称热(焓)( kJ·mol-1) -4048 ', '10液相标准. Combustion heat(焓)(kJ·mol-1)-27686 ', '11液相标准声称热(焓)( kJ·mol-1)-4500']
|
