|
FW:
|
230.30100
|
|
MF:
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C12H22O4
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Refractive_Index:
|
1.4270
|
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More_Info:
|
['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,25℃）097 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）118-119 ', '6 . Boiling point（ºC, KPa）Unknow ', '7 . Refractive index14270 ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg, ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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:
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0.0192mmHg at 25°C
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Bolling_Point:
|
118-119°C 9mm
|
|
Exact_Mass:
|
230.15200
|
|
PSA:
|
52.60000
|
|
Computational_Chemistry:
|
['1. XlogP :33 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :207 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 6111 ', '2 . Molar volume （m3/mol）2343 ', '3 . Parachor （902K）5538 ', '4 . Surface tension 311 ', '5 . Polarizability 2422 ', '五分子性质数据 ', '1 . Molar refractive index 6111 ', '2 . Molar volume （m3/mol）2343 ', '3 . Parachor （902K）5538 ', '4 . Surface tension 311 ', '5 . Polarizability 2422']
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|
LogP:
|
2.16500
|
|
Flash_Point:
|
118-119°C/9mm
|
|
Density:
|
0,97 g/cm3
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