|
Molecular_Structure:
|
['1. Molar refractive index 6767 ', '2. Molar volume 1726 ', '3. Parachor （902K）5042 ', '4. Surface tension 727 ', '5. Dielectric constant N/A ', '6. Polarizability 2682 ', '7. Single isotope mass 254057909 Da ', '8. Nominal mass 254 Da ', '9. Average mass 2542375 Da']
|
|
Flash_Point:
|
175.7ºC
|
|
Refractive_Index:
|
1.712
|
|
FW:
|
254.23700
|
|
Density:
|
1.472g/cm3
|
|
Bolling_Point:
|
452.5ºC at 760mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :11 ', '6. TPSA 668 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :393 ', '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']
|
|
LogP:
|
2.87120
|
|
Melting_Point:
|
275-276ºC
|
|
PSA:
|
70.67000
|
|
MF:
|
C15H10O4
|
|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）275-276 ', '5. Boiling point（ºC,Atmospheric pressure）Unknow ', '6. Boiling point（ºC,52kPa）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（kPa,25ºC）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']
|
|
Vapor_Pressure:
|
5.61E-09mmHg at 25°C
|
|
Exact_Mass:
|
254.05800
|
