|
MF:
|
C12H10O3
|
|
Bolling_Point:
|
357.1ºC at 760mmHg
|
|
Exact_Mass:
|
202.06300
|
|
More_Info:
|
['1 . Appearance 浅Yellow 晶体状粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）176-179 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，7mmHg）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（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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']
|
|
Melting_Point:
|
176 °C
|
|
PSA:
|
50.44000
|
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Flash_Point:
|
169.8ºC
|
|
Computational_Chemistry:
|
['1 . XlogP 32 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 533 ', '7 . Heavy Atom Count 15 ', '8 . Topological Polar Surface Area -1 ', '9 . Complexity 228 ', '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']
|
|
Density:
|
1.215g/cm3
|
|
Molecular_Structure:
|
['1. Molar refractive index 5489 ', '2. Molar volume 1663 ', '3. Parachor （902K）4343 ', '4. Surface tension 465 ', '5. Dielectric constant N/A ', '6. Polarizability 2176 ', '7. Single isotope mass 202062994 Da ', '8. Nominal mass 202 Da ', '9. Average mass 202206 Da']
|
|
FW:
|
202.20600
|
|
LogP:
|
2.95320
|
|
Vapor_Pressure:
|
1.01E-05mmHg at 25°C
|
