|
MF:
|
C13H10O
|
|
Bolling_Point:
|
372.1±21.0 °C at 760 mmHg
|
|
Exact_Mass:
|
182.073166
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL 25ºC）09982 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）167-169 ', '5 . Boiling point（ºC，18mmHg）Unknow ', '6 . Boiling point（ºC,52kPa）2663 ', '7 . Refractive index(n20D) 1687 ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (mg/mL, 25 ºC )Water Unknow']
|
|
Melting_Point:
|
167-169ºC(lit.)
|
|
PSA:
|
20.23000
|
|
Flash_Point:
|
182.0±13.9 °C
|
|
Refractive_Index:
|
1.683
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5567 ', '2 . Molar volume 1467 ', '3 . Parachor （902K）4017 ', '4 . Surface tension 561 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability 2207']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :9 ', '6. TPSA 202 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :213 ', '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:
|
182.218
|
|
LogP:
|
3.43
|
|
Vapor_Pressure:
|
0.0±0.9 mmHg at 25°C
|
