|
Refractive_Index:
|
1.441
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Flash_Point:
|
135.0±17.4 °C
|
|
LogP:
|
4.22
|
|
Bolling_Point:
|
300.9±10.0 °C at 760 mmHg
|
|
PSA:
|
52.60000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 7045 ', '2 . Molar volume 2665 ', '3 . Parachor （902K）6386 ', '4 . Surface tension 329 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 2793']
|
|
Computational_Chemistry:
|
['1. XlogP :31 ', '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 526 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :202 ', '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:
|
-32 °C
|
|
MF:
|
C14H26O4
|
|
Exact_Mass:
|
258.183105
|
|
FW:
|
258.354
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 透明Liquid 。 ', '2 相对. Density（g/mL,20/4℃）09613 ', '3 相对. Density（25℃，4℃）09093871 ', '4 . Melting point（ºC）-324 ', '5 . Boiling point（ºC）16510 ', '6 . Boiling point（ºC, 186kpa）183 ', '7 . Refractive index（20ºC）14369 ', '8 . Flash point（ºC）110 ', '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 Soluble in Ethyl ether and Ethanol ，Insoluble in Water 。']
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