|
Bolling_Point:
|
335 °C
|
|
LogP:
|
3.71810
|
|
More_Info:
|
['物性数据 1 . Appearance White 结晶，有酚气味。 ', '2 . Density（g/mL ,25/4℃）1115 ', '3 . Flash point（℃）160 ', '4 . Melting point（℃）71-73℃ ', '5 . Boiling point（ºC,133kpa）189-191℃ ', '6 . Solubility （g/100g溶剂，30℃）甲醇546，丙酮593，苯253，乙烷24，四氯化碳292。']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :2 ', '6. TPSA 202 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :208 ', '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:
|
72-75 °C
|
|
Exact_Mass:
|
212.12000
|
|
MF:
|
C15H16O
|
|
Density:
|
1,115 g/cm3
|
|
Refractive_Index:
|
1.587
|
|
PSA:
|
20.23000
|
|
Flash_Point:
|
160 °C
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 6628 ', '2 . Molar volume （m3/mol）2011 ', '3 . Parachor （902K）5047 ', '4 . Surface tension 396 ', '5 . Polarizability （10 -24cm 3）2627']
|
|
FW:
|
212.28700
|
