|
MF:
|
C7H6O4
|
|
Bolling_Point:
|
301.9±37.0 °C at 760 mmHg
|
|
Exact_Mass:
|
154.026611
|
|
More_Info:
|
['1 . Appearance 茶色粉末 ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）159-161 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,12mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（hPa,211ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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']
|
|
Melting_Point:
|
159-161 °C(lit.)
|
|
PSA:
|
77.76000
|
|
Flash_Point:
|
150.6±23.0 °C
|
|
Refractive_Index:
|
1.734
|
|
Density:
|
1.6±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3865 ', '2 . Molar volume （m3/mol）963 ', '3 . Parachor （902K）2973 ', '4 . Surface tension 905 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）1532']
|
|
Computational_Chemistry:
|
['1 . XlogP 09 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 26 ', '6 . TPSA 778 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 147 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
FW:
|
154.120
|
|
LogP:
|
1.25
|
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
