|
Refractive_Index:
|
1.586
|
|
Vapor_Pressure:
|
8.17E-07mmHg at 25°C
|
|
Flash_Point:
|
192.9ºC
|
|
LogP:
|
2.20380
|
|
Bolling_Point:
|
395.3ºC at 760mmHg
|
|
FW:
|
179.21600
|
|
PSA:
|
49.33000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :6 ', '6. TPSA 493 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :162 ', '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']
|
|
Melting_Point:
|
137-141ºC(lit.)
|
|
MF:
|
C10H13NO2
|
|
Exact_Mass:
|
179.09500
|
|
Molecular_Structure:
|
['1. Molar refractive index 5167 ', '2. Molar volume 1539 ', '3. Parachor (902K)4055 ', '4. Surface tension 481 ', '5. Dielectric constant N/A ', '6. Polarizability 2048 ', '7. Single isotope mass 179094629 Da ', '8. Nominal mass 179 Da ', '9. Average mass 1792157 Da']
|
|
Density:
|
1.164g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 针状结晶 ', '2 . Density(g/mL,25℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)139-140 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,266kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(hPa,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,20 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 Soluble in Water ']
|