|
Water_Solubility:
|
decomposes
|
|
Bolling_Point:
|
213-214 °C(lit.)
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 2462 ', '2 . Molar volume 840 ', '3 . Parachor （902K）2151 ', '4 . Surface tension 429 ', '5 . Polarizability 976']
|
|
LogP:
|
0.01610
|
|
More_Info:
|
['物性数据 1 . Density（g/mL ,25/4℃）1245 ', '2 . Refractive index（nD20）147-1472 ', '3 . Flash point（℃）101℃ ', '4 . Melting point（℃）6-7℃ ', '5 . Boiling point（ºC,101kpa）213℃ ', '6 气相标准. Combustion heat(焓)(kJ·mol-1)-209202 ', '7 气相标准声称热(焓)( kJ·mol-1) -46635 ', '8 液相标准. Combustion heat(焓)(kJ·mol-1)-203466 ', '9 液相标准声称热(焓)( kJ·mol-1)-50455']
|
|
MF:
|
C5H4O3
|
|
Computational_Chemistry:
|
['1. XlogP :02 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 434 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :178 ', '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:
|
6-10 °C(lit.)
|
|
Refractive_Index:
|
n20/D 1.471(lit.)
|
|
PSA:
|
43.37000
|
|
Flash_Point:
|
215 °F
|
|
FW:
|
112.08300
|
|
Exact_Mass:
|
112.01600
|
|
Vapor_Density:
|
4 (vs air)
|
|
Density:
|
1.247 g/mL at 25 °C(lit.)
|
