Molecular_Structure:
|
['1 . Molar refractive index 5327 ', '2 . Molar volume (m3/mol)1662 ', '3 . Parachor (902K)4153 ', '4 . Surface tension 390 ', '5 . Dielectric constant (F/m)无可用 ', '6 偶极距(D)无可用 ', '7 . Polarizability (10 -24cm 3)2111']
|
LogP:
|
3.30
|
Flash_Point:
|
104.0±14.4 °C
|
Refractive_Index:
|
1.554
|
FW:
|
178.228
|
Density:
|
1.1±0.1 g/cm3
|
Bolling_Point:
|
252.1±20.0 °C at 760 mmHg
|
Computational_Chemistry:
|
['1. XlogP :33 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :5 ', '6. TPSA 373 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :181 ', '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']
|
PSA:
|
37.30000
|
MF:
|
C11H14O2
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density(g/mLat 25°C)1039 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,729mmHg)251-252 ', '7 . Refractive index(n20/D)1539 ', '8 . Flash point(ºC)1044 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(hPa,211ºC)Unknow ', '12 . Saturated vapor pressure(kPa,1144 ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(MPa)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']
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
Exact_Mass:
|
178.099380
|