|
Molecular_Structure:
|
['1 . Molar refractive index 3022 ', '2 . Molar volume （m3/mol）951 ', '3 . Parachor （902K）2561 ', '4 . Surface tension 525 ', '5 . Polarizability （10 -24cm 3）1198']
|
|
Flash_Point:
|
107.0±25.4 °C
|
|
Refractive_Index:
|
1.548
|
|
FW:
|
115.131
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Bolling_Point:
|
236.5±0.0 °C at 760 mmHg
|
|
Melting_Point:
|
20-23 °C(lit.)
|
|
Computational_Chemistry:
|
['1. XlogP :-06 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 295 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :785 ', '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']
|
|
LogP:
|
-1.30
|
|
Water_Solubility:
|
SOLUBLE
|
|
PSA:
|
29.54000
|
|
MF:
|
C5H9NO2
|
|
More_Info:
|
['1 . Appearance Colourless 低. Melting pointSolid ', '2 . Density（g/mL）115 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）23 ', '5 . Boiling point（ºC）240 ', '6 . Boiling point（ºC,22mmHg）不确定 ', '7 . Refractive index14896 ', '8 . Flash point（ºC）118 ', '9 . Specific rotation（º）不确定 ', '10 燃点（ºC）118 11 蒸汽压（ 20ºC ） 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 Soluble in 醇醚。Insoluble in Water ']
|
|
Vapor_Pressure:
|
0.0±0.4 mmHg at 25°C
|
|
Exact_Mass:
|
115.063332
|
