|
Refractive_Index:
|
1.741
|
|
Vapor_Pressure:
|
0.0±0.9 mmHg at 25°C
|
|
Flash_Point:
|
129.0±14.3 °C
|
|
LogP:
|
2.53
|
|
Bolling_Point:
|
369.2±21.0 °C at 760 mmHg
|
|
PSA:
|
20.23000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 5324 ', '2 . Molar volume （m3/mol）1318 ', '3 . Parachor （902K）3640 ', '4 . Surface tension 580 ', '5 . Polarizability 2110']
|
|
Computational_Chemistry:
|
['1 . XlogP 24 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 202 ', '7 . Heavy Atom Count 13 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 201 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 1 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
145-148 °C(lit.)
|
|
MF:
|
C12H10O
|
|
Exact_Mass:
|
170.073166
|
|
FW:
|
170.207
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 针状晶体 ', '2 . Density（g/mL, 25 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）145-148 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，3mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
|
