|
Refractive_Index:
|
1.382
|
|
Vapor_Pressure:
|
11.1±0.2 mmHg at 25°C
|
|
Flash_Point:
|
23.3±0.0 °C
|
|
LogP:
|
-0.33
|
|
Bolling_Point:
|
132.1±0.0 °C at 760 mmHg
|
|
FW:
|
120.147
|
|
PSA:
|
27.69000
|
|
Computational_Chemistry:
|
['1. XlogP :-01 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 277 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :429 ', '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']
|
|
MF:
|
C5H12O3
|
|
Exact_Mass:
|
120.078644
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3040 ', '2 . Molar volume （m3/mol）1305 ', '3 . Parachor （902K）2874 ', '4 . Surface tension 235 ', '5 . Polarizability （10 -24cm 3）1205']
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 不确定 2 . Density（ g/mL,25/4 ℃ ）0932 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 4 . Melting point（ ºC ）不确定 5 . Boiling point（ ºC,56mmHg ）56-59 6 . Boiling point（ ºC,52kPa ）不确定 7 . Refractive index1392 8 . Flash point（ ºC ）23 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']
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