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Refractive_Index:
|
1.538
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|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
Flash_Point:
|
210.0±14.4 °C
|
|
LogP:
|
2.88
|
|
Bolling_Point:
|
312.9±11.0 °C at 760 mmHg
|
|
PSA:
|
37.30000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5184 ', '2 . Molar volume （m3/mol）1657 ', '3 . Parachor （902K）4185 ', '4 . Surface tension 407 ', '5 . Polarizability （10 -24cm 3）2055']
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Computational_Chemistry:
|
['1. XlogP :25 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :177 ', '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:
|
167-171 °C(lit.)
|
|
MF:
|
C11H14O2
|
|
Exact_Mass:
|
178.099380
|
|
FW:
|
178.228
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 不确定 ', '2 . Density不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）170 ', '5 . Boiling point（ºC）不确定 ', '6 . Boiling point（ºC,15mmHg）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 蒸汽压（20ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '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']
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