|
Molecular_Structure:
|
['1 . Molar refractive index 4663 ', '2 . Molar volume （m3/mol）1506 ', '3 . Parachor （902K）3838 ', '4 . Surface tension 421 ', '5 . Polarizability （10 -24cm 3）1848']
|
|
LogP:
|
2.26480
|
|
Flash_Point:
|
>230 °F
|
|
Refractive_Index:
|
n20/D 1.516
|
|
FW:
|
164.20100
|
|
Density:
|
1.055 g/mL at 25 °C(lit.)
|
|
Bolling_Point:
|
102-104 °C0.4 mm Hg(lit.)
|
|
Computational_Chemistry:
|
['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :148 ', '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']
|
|
PSA:
|
37.30000
|
|
MF:
|
C10H12O2
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）1055g/mL ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）270-272 ', '6 . Boiling point（ºC, 04mm Hg）102-104°C ', '7 . Refractive indexn 20/D 1516 ', '8 . Flash point（ºF）>230°F ', '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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
|
|
Exact_Mass:
|
164.08400
|
