|
Molecular_Structure:
|
['1 . Molar refractive index 3938 ', '2 . Molar volume 1272 ', '3 . Parachor （902K）3174 ', '4 . Surface tension 387 ', '5 . Polarizability 1561']
|
|
LogP:
|
0.95
|
|
Flash_Point:
|
109.9±14.6 °C
|
|
Refractive_Index:
|
1.531
|
|
FW:
|
138.164
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Bolling_Point:
|
247.4±15.0 °C at 760 mmHg
|
|
Melting_Point:
|
29 - 30ºC
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 295 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :933 ', '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']
|
|
Water_Solubility:
|
immiscible
|
|
PSA:
|
29.46000
|
|
MF:
|
C8H10O2
|
|
More_Info:
|
['一物性数据 ', '. Appearance 不可用 ', '. Density（g/mL,25/4℃）1112 ', '相对. Density（20℃，4℃）1112 ', '. Melting point（ºC）295 ', '. Boiling point（ºC,Atmospheric pressure）255 ', '常温. Refractive index（n25）1554228 ', '. Refractive index15425-15445 . Flash point（ºC）>230℉ . Specific rotation（º）不可用 ', '. Spontaneous ignition point or ignition temperature（ºC）不可用 ', '. Vapor pressure（kPa,25ºC）不可用 ', '. Saturated vapor pressure（kPa,60ºC）不可用 ', '. Combustion heat（KJ/mol）不可用 ', '. Critical temperature（ºC）不可用 ', '. Critical pressure（KPa）不可用 ', '. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '. Upper limit of explosion（%,V/V）不可用 ', '. Lower limit of explosion（%,V/V）不可用 ', '. Solubility 不可用']
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Exact_Mass:
|
138.068085
|
