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Refractive_Index:
|
1.475
|
|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
|
Flash_Point:
|
117.5±13.1 °C
|
|
LogP:
|
2.34
|
|
Bolling_Point:
|
262.6±0.0 °C at 760 mmHg
|
|
PSA:
|
37.30000
|
|
Molecular_Structure:
|
['1. Molar refractive index 3838 ', '2. Molar volume 1364 ', '3. Parachor （902K）3409 ', '4. Surface tension 39 ', '5. Dielectric constant N/A ', '6. Polarizability 1521 ', '7. Single isotope mass 14209938 Da ', '8. Nominal mass 142 Da ', '9. Average mass 1421956 Da']
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|
Computational_Chemistry:
|
['1 . XlogP 24 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 未确定 ', '6 . TPSA 373 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 112 ', '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:
|
71ºC
|
|
MF:
|
C8H14O2
|
|
Exact_Mass:
|
142.099380
|
|
FW:
|
142.196
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,15℃）1035 ', '3 . Boiling point（ºC）253759 ', '4 . Melting point（ºC）71 ', '5 . Boiling point（ºC,Atmospheric pressure）135-138 ', '6 . Refractive index14704 ', '7 . Flash point（ºC）118 ', '8 相对. Density（20℃，4℃）10368 ', '9 常温. Refractive index（n20）14722 ', '10 . Vapor pressure（kPa,25ºC）0003 ', '11 . Saturated vapor pressure（kPa,60ºC）Unknow ', '12 . Combustion heat（KJ/mol）5509 ', '13 . Critical temperature（ºC）Unknow ', '14 . Critical pressure（KPa）Unknow ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion（%,V/V）Unknow ', '17 . Lower limit of explosion（%,V/V）Unknow . Solubility 24 g/L (25 C)']
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