|
Bolling_Point:
|
325.6±27.0 °C at 760 mmHg
|
|
LogP:
|
-0.24
|
|
More_Info:
|
['1 . Appearance Colourless 的Liquid ', '2 . Density（g/mL,20℃）1114 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）270 ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexn20/D 1448 ', '8 . Flash point（ºC）>110 ', '9 . Specific rotation（º）-5 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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 Insoluble in Water ']
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|
Computational_Chemistry:
|
['1. XlogP :-05 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 703 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :170 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
Vapor_Pressure:
|
0.0±1.6 mmHg at 25°C
|
|
Exact_Mass:
|
157.073898
|
|
MF:
|
C7H11NO3
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Refractive_Index:
|
1.455
|
|
PSA:
|
70.32000
|
|
Flash_Point:
|
150.7±23.7 °C
|
|
Molecular_Structure:
|
['1. Molar refractive index 3766 ', '2. Molar volume 1388 ', '3. Parachor （902K）3577 ', '4. Surface tension 441 ', '5. Dielectric constant N/A ', '6. Polarizability 1492 ', '7. Single isotope mass 157073893 Da ', '8. Nominal mass 157 Da ', '9. Average mass 1571671 Da']
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|
FW:
|
157.167
|
