|
MF:
|
C10H12O3
|
|
Bolling_Point:
|
290.8±15.0 °C at 760 mmHg
|
|
Exact_Mass:
|
180.078644
|
|
More_Info:
|
['1 . Appearance 浅Yellow to Colourless Liquid ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）36-38 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC, 20mmHg）187-189 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）187-189 ºC/20mmHg ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']
|
|
Melting_Point:
|
36-38°C
|
|
PSA:
|
46.53000
|
|
Flash_Point:
|
122.7±13.2 °C
|
|
Refractive_Index:
|
1.532
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4559 ', ' ', '2 . Molar volume 1421 ', ' ', '3 . Parachor （902K）3734 ', ' ', '4 表面张力（30 dyne/cm）475 ', ' ', '5 . Polarizability （05 10 -24cm 3）1807']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :2 ', '6. TPSA 465 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :160 ', '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']
|
|
FW:
|
180.201
|
|
LogP:
|
1.76
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
