|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 6596 ', '2 . Molar volume （m3/mol）2125 ', '3 . Parachor （902K）5563 ', '4 . Surface tension 469 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 2615']
|
|
Flash_Point:
|
178ºC
|
|
Refractive_Index:
|
1.533
|
|
FW:
|
272.23400
|
|
Density:
|
1.28g/cm3
|
|
Bolling_Point:
|
370.7ºC at 760mmHg
|
|
Computational_Chemistry:
|
['1 . XlogP 14 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 65 ', '7 . Heavy Atom Count 18 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 343 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 1 ', '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:
|
2.90970
|
|
Melting_Point:
|
197-200ºC(lit.)
|
|
PSA:
|
74.80000
|
|
MF:
|
C12H17O5P
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）197-200 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，003mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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']
|
|
Exact_Mass:
|
272.08100
|
