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Molecular_Structure:
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['1. Molar refractive index 2824 ', '2. Molar volume 1112 ', '3. Parachor （902K）2647 ', '4. Surface tension 32 ', '5. Dielectric constant N/A ', '6. Polarizability 1119 ', '7. Single isotope mass 132042259 Da ', '8. Nominal mass 132 Da ', '9. Average mass 1321146 Da']
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LogP:
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0.16820
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Flash_Point:
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112.8ºC
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Refractive_Index:
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n20/D 1.437(lit.)
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FW:
|
132.11500
|
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Density:
|
1.187g/cm3
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|
Bolling_Point:
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257.4ºC at 760mmHg
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 448 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :112 ', '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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PSA:
|
44.76000
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MF:
|
C5H8O4
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|
More_Info:
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['1 . Appearance Colourless -几乎Colourless 透明Liquid ', '2 . Density（g/mL,25℃）124 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）330-332 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,01KPa）105-106 ', '7 . Refractive indexn20/D 1437 ', '8 . Flash point（ºC）>110 ', '9 . Specific rotation（º）Unknow ', '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 Unknow']
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|
Vapor_Pressure:
|
0.0145mmHg at 25°C
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|
Exact_Mass:
|
132.04200
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