|
Refractive_Index:
|
1.533
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Flash_Point:
|
138.9±15.8 °C
|
|
LogP:
|
2.03
|
|
Bolling_Point:
|
340.7±22.0 °C at 760 mmHg
|
|
PSA:
|
55.76000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4653 ', '2 . Molar volume （m3/mol）1499 ', '3 . Parachor （902K）3827 ', '4 . Surface tension : 424 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1844']
|
|
Computational_Chemistry:
|
['1 . XlogP 22 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 558 ', '6 . Heavy Atom Count 13 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 169 ', '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']
|
|
Melting_Point:
|
178-180 °C(lit.)
|
|
MF:
|
C9H10O4
|
|
Exact_Mass:
|
182.057907
|
|
FW:
|
182.173
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 类White or White 结晶粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）178-180 5 . Boiling point（ ºC, Atmospheric pressure） 298 6 . Boiling point（ ºC,4mm ） Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）>110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,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']
|
