|
MF:
|
C9H12O
|
|
Bolling_Point:
|
202.0±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
136.088821
|
|
More_Info:
|
['物性数据 1 . Appearance 棱柱状结晶or Liquid ', '2 . Density（g/mL ,20/4℃）09735 ', '3 . Refractive index（nD20） 15325 ', '4 . Flash point（℃）87 ', '5 . Melting point（℃）35~37 ', '6 . Boiling point（ºC）215~220 ', '7 . Boiling point（ºC,11mmHg）88-90 ', '8 相对. Density（20℃，4℃）098 ', '9常温. Refractive index（n20）15325']
|
|
Melting_Point:
|
28-32 °C(lit.)
|
|
PSA:
|
20.23000
|
|
Flash_Point:
|
87.8±0.0 °C
|
|
Refractive_Index:
|
1.518
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4154 ', '2 . Molar volume 1371 ', '3 . Parachor （902K）3322 ', '4 . Surface tension 344 ', '5 . Polarizability 1646']
|
|
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 :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :101 ', '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']
|
|
FW:
|
136.191
|
|
LogP:
|
1.73
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
