|
Molecular_Structure:
|
['1. Molar refractive index 9098 ', '2. Molar volume 2609 ', '3. Parachor （902K）6669 ', '4. Surface tension 426 ', '5. Dielectric constant N/A ', '6. Polarizability 3607 ', '7. Single isotope mass 294125594Da ', '8. Nominal mass 294Da ', '9. Average mass 2943444Da']
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|
LogP:
|
4.76
|
|
Flash_Point:
|
243.7±13.8 °C
|
|
Refractive_Index:
|
1.614
|
|
FW:
|
294.344
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Bolling_Point:
|
492.1±40.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1 . XlogP 41 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count ', '6 . TPSA 355 ', '7 . Heavy Atom Count 22 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 348 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 2 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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|
Melting_Point:
|
128-129ºC
|
|
PSA:
|
35.53000
|
|
MF:
|
C19H18O3
|
|
More_Info:
|
['1 . Appearance Solid ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）128-130 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，150mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,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 不能溶解的']
|
|
Vapor_Pressure:
|
0.0±1.2 mmHg at 25°C
|
|
Exact_Mass:
|
294.125580
|
