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FW:
|
114.14200
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MF:
|
C6H10O2
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|
Refractive_Index:
|
n20/D 1.442(lit.)
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Bolling_Point:
|
172-174 °C(lit.)
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Exact_Mass:
|
114.06800
|
|
PSA:
|
34.14000
|
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Computational_Chemistry:
|
['1. XlogP :04 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :5 ', '6. TPSA 341 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :102 ', '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']
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Molecular_Structure:
|
['1 . Molar refractive index 2986 ', '2 . Molar volume 1221 ', '3 . Parachor （902K）2783 ', '4 . Surface tension 269 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） 7 . Polarizability 1183']
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|
LogP:
|
0.80050
|
|
Melting_Point:
|
190 - 191ºC
|
|
Flash_Point:
|
134 °F
|
|
Density:
|
0.981 g/mL at 25 °C(lit.)
|
|
More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）0981g/mL ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）173°C ', '6 常温. Refractive index（n25）14405 ', '7 常温. Refractive index（n20）14440 ', '8 . Flash point（ºF）134°F ', '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 Unknow']
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