|
Refractive_Index:
|
n20/D 1.481(lit.)
|
|
Vapor_Pressure:
|
6.6E-10mmHg at 25°C
|
|
LogP:
|
1.62360
|
|
Bolling_Point:
|
369ºC at 760mmHg
|
|
FW:
|
256.33800
|
|
More_Info:
|
['1．. Appearance 不可用 ', '2．. Density（g/mL,25/4℃）11 ', '3．. Relative vapor density（g/mL,Atmosphere =1）>1 ', '4．. Melting point（ºC）不可用 ', '5．. Boiling point（ºC,Atmospheric pressure）154-160 ', '6．. Boiling point（ºC,52kPa）不可用 ', '7．. Refractive index1481 ', '8．. Flash point（ºC）不可用 ', '9．. Specific rotation（º）不可用 ', '10．. Spontaneous ignition point or ignition temperature（ºC）不可用 ', '11．. Vapor pressure（kPa,25ºC）114mm hg ', '12．. Saturated vapor pressure（kPa,60ºC）不可用 ', '13．. Combustion heat（KJ/mol）不可用 ', '14．. Critical temperature（ºC）不可用 ', '15．. Critical pressure（KPa）不可用 ', '16．. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '17．. Upper limit of explosion（%,V/V）不可用 ', '18．. Lower limit of explosion（%,V/V）不可用 ', '19．. Solubility 不可用']
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|
Computational_Chemistry:
|
['1. XlogP :1 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 435 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :224 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :2 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
MF:
|
C14H24O4
|
|
Exact_Mass:
|
256.16700
|
|
Molecular_Structure:
|
['1. Molar refractive index 6749 ', '2. Molar volume 2439 ', '3. Parachor （902K）602 ', '4. Surface tension 431 ', '5. Dielectric constant N/A ', '6. Polarizability 2675 ', '7. Single isotope mass 256167459 Da ', '8. Nominal mass 256 Da ', '9. Average mass 256338 Da']
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|
Density:
|
1.091g/cm3
|
|
PSA:
|
43.52000
|
