|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 8401 ', '2 . Molar volume 2357 ', '3 . Parachor (902K)6130 ', '4 . Surface tension 457 ', '5 . Dielectric constant ', '6 偶极距(10-24cm3) ', '7 . Polarizability 3330']
|
|
Flash_Point:
|
281.2±14.0 °C
|
|
Refractive_Index:
|
1.631
|
|
FW:
|
264.318
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Bolling_Point:
|
436.4±24.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1 . XlogP 44 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 20 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 331 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 2 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
|
|
LogP:
|
4.32
|
|
Melting_Point:
|
42-45 °C(lit.)
|
|
PSA:
|
26.30000
|
|
MF:
|
C18H16O2
|
|
More_Info:
|
['1 . Appearance Colourless or White 晶体。 ', '2 . Melting point(℃)44 ', '3 . Boiling point(Atmospheric pressure,℃)370 ', '4 相对. Density(d4)11565']
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
|
Exact_Mass:
|
264.115021
|