|
Molecular_Structure:
|
['1 . Molar refractive index 5696 ', '2 . Molar volume （m3/mol）1812 ', '3 . Parachor （902K）4577 ', '4 . Surface tension 406 ', '5 . Polarizability （10 -24cm 3）2258']
|
|
Flash_Point:
|
>230 °F
|
|
Refractive_Index:
|
n20/D 1.536(lit.)
|
|
FW:
|
188.26600
|
|
Density:
|
1.024 g/mL at 25 °C(lit.)
|
|
Bolling_Point:
|
103-105 °C0.2 mm Hg(lit.)
|
|
Computational_Chemistry:
|
['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :191 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
LogP:
|
2.98840
|
|
Melting_Point:
|
28-30°C
|
|
PSA:
|
17.07000
|
|
MF:
|
C13H16O
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）1024g/mL ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）28-30°C ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, 02mm Hg）103-105°C ', '7 . Refractive indexn 20/D 1536 ', '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:
|
188.12000
|
