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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 6527 ', '2 . Molar volume （m3/mol）1936 ', '3 . Parachor （902K）5363 ', '4 . Surface tension 588 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 2587']
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|
LogP:
|
-0.22
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|
Flash_Point:
|
216.2±27.3 °C
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|
Refractive_Index:
|
1.589
|
|
FW:
|
251.278
|
|
Density:
|
1.3±0.1 g/cm3
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|
Bolling_Point:
|
433.9±40.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1 . XlogP -07 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 999 ', '7 . Heavy Atom Count 15 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 255 ', '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']
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|
PSA:
|
70.00000
|
|
MF:
|
C13H17NO4
|
|
More_Info:
|
['1 . Appearance 粘性Liquid ', '2 . Density（g/mL 25ºC）1297 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºCAtmospheric pressure）Unknow ', '5 . Boiling point（ºC）240 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC，）Unknow ', '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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (mg/mL) Unknow']
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|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
|
Exact_Mass:
|
251.115753
|
