|
Refractive_Index:
|
1.467
|
|
Vapor_Pressure:
|
0.0±2.0 mmHg at 25°C
|
|
Flash_Point:
|
295.8±14.4 °C
|
|
LogP:
|
7.77
|
|
Bolling_Point:
|
399.0±11.0 °C at 760 mmHg
|
|
FW:
|
282.461
|
|
PSA:
|
37.30000
|
|
Computational_Chemistry:
|
['四计算化学数据 ', '1 . XlogP 73 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 15 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 20 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 234 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 1 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
|
MF:
|
C18H34O2
|
|
Exact_Mass:
|
282.255890
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 8706 ', '2 . Molar volume (m3/mol)3138 ', '3 . Parachor (902K)7572 ', '4 . Surface tension 338 ', '5 . Polarizability 3451']
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['物性数据 1 . Appearance 叶状结晶 ', '2 相对. Density08700 ', '3 折光率14533 ', '4 . Melting point(℃)295-301 ', '5 . Boiling point(ºC,240kpa)237~238']
|