|
MF:
|
C10H12O2
|
|
Bolling_Point:
|
252.7±15.0 °C at 760 mmHg
|
|
Exact_Mass:
|
164.083725
|
|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）1072g/mLat 20°C(lit)3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow 5 . Boiling point（ºC,Atmospheric pressure） 130 °C (01 mmHg) 6 . Boiling point（ºC,52kPa） Unknow 7 . Refractive index n 20/D 1517', ' 8 . Flash point（ºC） >110°C 9 . Specific rotation（º）51 º (c=5 in toluene) 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 Unknow ', '17. Upper limit of explosion（%,V/V）Unknow ', '18. Lower limit of explosion（%,V/V）Unknow ', '19. Solubility Unknow']
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|
PSA:
|
21.76000
|
|
Flash_Point:
|
100.9±19.9 °C
|
|
Refractive_Index:
|
1.535
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4638 ', '2 . Molar volume （m3/mol）1489 ', '3 . Parachor （902K）3806 ', '4 . Surface tension 426 ', '5 . Polarizability 1838']
|
|
Computational_Chemistry:
|
['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 218 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :130 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
FW:
|
164.201
|
|
LogP:
|
2.04
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
