|
FW:
|
136.194
|
|
MF:
|
C8H12N2
|
|
Water_Solubility:
|
Miscible
|
|
Refractive_Index:
|
1.581
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Bolling_Point:
|
247.0±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
136.100052
|
|
PSA:
|
52.04000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 52 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :833 ', '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']
|
|
Molecular_Structure:
|
['1. Molar refractive index 4315 ', '2. Molar volume 1294 ', '3. Parachor （902K）3389 ', '4. Surface tension 47 ', '5. Dielectric constant N/A ', '6. Polarizability 171 ', '7. Single isotope mass 136100048 Da ', '8. Nominal mass 136 Da ', '9. Average mass 1361943 Da']
|
|
LogP:
|
-0.04
|
|
Melting_Point:
|
14°C
|
|
Flash_Point:
|
130.4±21.3 °C
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless Liquid ，杏仁味。 ', '2 . Density（g/mL,20℃） 1055 ', '3 . Relative vapor density（g/mL,Atmosphere =1）47 ', '4 . Melting point（ºC）14 ', '5 . Boiling point（ºC,Atmospheric pressure）248 ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index 15700(20℃) ', '8 . Flash point（ºC） 113 ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC） Unknow ', '12 . Saturated vapor pressure（kPa,60ºC） Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC） Unknow ', '15 . Critical pressure（KPa） 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 甲醇 Ethanol 丁醇丙酮丁酮氯仿苯甲苯二甲苯吡啶 Ethyl ether 醋酸乙酯，难Soluble in 石油醚正己烷环己烷。 20 凝固点（ºC）≥5℃']
|
