|
Refractive_Index:
|
1.470
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
|
Flash_Point:
|
181.4±23.2 °C
|
|
LogP:
|
3.15
|
|
Bolling_Point:
|
422.1±25.0 °C at 760 mmHg
|
|
PSA:
|
78.90000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 8943 ', '2 . Molar volume （m3/mol）3208 ', '3 . Parachor （902K）7731 ', '4 . Surface tension :337 ', '5 . Polarizability 3545']
|
|
Vapor_Density:
|
>1 (vs air)
|
|
Computational_Chemistry:
|
['1. XlogP :38 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :13 ', '5. Isotope Atom Count :N/A ', '6. TPSA 789 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :470 ', '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']
|
|
Melting_Point:
|
-25°C
|
|
MF:
|
C18H26O6
|
|
Exact_Mass:
|
338.172943
|
|
FW:
|
338.395
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless or 微Yellow 透明Liquid 2 . Density d （ g/mL,25/4 ℃ ） 106 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting pointmp（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）185 ', '6 . Boiling pointbp（ºC, 4mm ）不确定 ', '7 . Refractive index（nD20）1472 ', '8 . Flash pointfp（ºC）>110 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 12 . Saturated vapor pressure（20ºC）<001 mm Hg 13 . Combustion heat（ KJ/mol ）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']
|
