|
Refractive_Index:
|
1.463
|
|
Vapor_Pressure:
|
0.00857mmHg at 25°C
|
|
Flash_Point:
|
120.5ºC
|
|
LogP:
|
2.06310
|
|
Bolling_Point:
|
266.6ºC at 760 mmHg ，137ºC 16mm
|
|
FW:
|
228.28500
|
|
PSA:
|
52.60000
|
|
Computational_Chemistry:
|
['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :234 ', '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']
|
|
MF:
|
C12H20O4
|
|
Exact_Mass:
|
228.13600
|
|
Molecular_Structure:
|
['1. Molar refractive index 5874 ', '2. Molar volume 2131 ', '3. Parachor （902K）5284 ', '4. Surface tension 377 ', '5. Dielectric constant N/A ', '6. Polarizability 2328 ', '7. Single isotope mass 228136159 Da ', '8. Nominal mass 228 Da ', '9. Average mass 2282848 Da']
|
|
Density:
|
1.071 g/cm3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）104 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）137 ', '6 . Boiling point（ºC，20mmHg）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']
|
