|
FW:
|
150.174
|
|
MF:
|
C9H10O2
|
|
Refractive_Index:
|
1.550
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Bolling_Point:
|
274.2±9.0 °C at 760 mmHg
|
|
Exact_Mass:
|
150.068085
|
|
PSA:
|
37.30000
|
|
Computational_Chemistry:
|
['四计算化学数据 ', '1 . XlogP 22 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 11 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 154 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4283 ', '2 . Molar volume 1345 ', '3 . Parachor （902K）3446 ', '4 . Surface tension 431 ', '5 . Polarizability 1698']
|
|
LogP:
|
2.82
|
|
Melting_Point:
|
132-134 °C(lit.)
|
|
Flash_Point:
|
126.7±13.4 °C
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1. Appearance White 粉末or 晶体。 ', '2. Melting point（ºC）1338~1341 ', '3 . Boiling point（ºC）268 ', '4 晶相相标准. Combustion heat(焓)(kJ·mol-1)-451458 ', '5 晶相标准声称热(焓)( kJ·mol-1)-45614 ', '6 . Flash point（ºC）1267 ', '7 相对. Density(d214) 1069']
|
