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MF:
|
C9H16O
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|
Water_Solubility:
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13 g/L (20 ºC)
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Bolling_Point:
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188-192 °C(lit.)
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Exact_Mass:
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140.12000
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More_Info:
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['1 . Appearance Colourless 低黏度Liquid 。类似甲醇气味。 ', '2 . Boiling point（ºC,1013kPa）1893 ', '3 凝固点（ºC）-10 ', '4 相对. Density（g/mL,20/4ºC）08907 ', '5 . Refractive index（n20ºC）1445415 ', '6 . Flash point（ºC）72 ', '7 溶解度（%,20ºC,Water ）03 ', '8 . Solubility Soluble in Ethanol Ethyl ether ，微Soluble in Water 。 ', '9 常温. Refractive index（n25）1443320']
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Melting_Point:
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−10 °C(lit.)
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PSA:
|
17.07000
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Flash_Point:
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150 °F
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|
Refractive_Index:
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n20/D 1.445(lit.)
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Density:
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0.887 g/mL at 25 °C(lit.)
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|
Molecular_Structure:
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['1 . Molar refractive index 4183 ', '2 . Molar volume 1613 ', '3 . Parachor （902K）3603 ', '4 . Surface tension 248 ', '5 . Polarizability 1658']
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Computational_Chemistry:
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['1. XlogP :22 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :147 ', '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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FW:
|
140.22300
|
|
LogP:
|
2.40170
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