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Molecular_Structure:
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['1 . Molar refractive index 7270 ', '2 . Molar volume （m3/mol）2662 ', '3 . Parachor （902K）6185 ', '4 . Surface tension 291 ', '5 . Polarizability 2882']
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|
LogP:
|
4.61
|
|
Flash_Point:
|
57.2±35.2 °C
|
|
Refractive_Index:
|
1.459
|
|
FW:
|
254.322
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Bolling_Point:
|
297.0±35.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :25 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :13 ', '5. Isotope Atom Count :N/A ', '6. TPSA 369 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :200 ', '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']
|
|
PSA:
|
36.92000
|
|
MF:
|
C14H22O4
|
|
More_Info:
|
['1. Appearance Unknow 2 . Density（g/mL,25/4 ℃ ） 1001 3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4. Melting point（ºC）Unknow 5 . Boiling point（ºC,Atmospheric pressure） 155-160°C 6 . Boiling point（ºC,52kPa） Unknow ', '7. Refractive index14556 8 . Flash point（ºC）>110°C 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']
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|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Exact_Mass:
|
254.151810
|
