|
FW:
|
138.121
|
|
MF:
|
C7H6O3
|
|
Water_Solubility:
|
slightly soluble
|
|
Refractive_Index:
|
1.616
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Bolling_Point:
|
346.1±25.0 °C at 760 mmHg
|
|
Exact_Mass:
|
138.031693
|
|
PSA:
|
57.53000
|
|
Computational_Chemistry:
|
['1 . XlogP 15 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 575 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 133 ', '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']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 35061 ', '2 . Molar volume 1003 ', '3 . Parachor （902K）2844 ', '4 . Surface tension 644 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1390']
|
|
LogP:
|
1.50
|
|
Melting_Point:
|
201 °C
|
|
Flash_Point:
|
177.3±19.7 °C
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 结晶 ', '2 . Density（g/mL,25℃）1485 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）2013~205 ', '5 . Boiling point（ºC,Atmospheric pressure）3461 ', '6 . Boiling point（ºC,30mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）220 ', '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, ºC）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 微Soluble in Water and 苯，Soluble in Ethanol and 醚。微Soluble in 冷Water 。']
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