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Vapor_Pressure:
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0.5±0.7 mmHg at 25°C
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More_Info:
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['1 . Appearance 糖浆状Liquid 。 ', '2 . Boiling point顺式（ºC,1013kPa）173 ', '3 . Boiling point反式（ºC,1013kPa）174~175 ', '4 . Melting point（ºC）-74 ', '5 相对. Density（g/mL,22/4ºC）09145 ', '6 . Refractive index（218ºC）145497 ', '7 . Flash point（ºC,闭口）678 ', '8 . Solubility 微Soluble in Water ，能与醇醚等多数有机溶剂混溶。']
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Bolling_Point:
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170.3±8.0 °C at 760 mmHg
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Flash_Point:
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62.8±0.0 °C
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LogP:
|
1.83
|
|
PSA:
|
20.23000
|
|
FW:
|
114.186
|
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MF:
|
C7H14O
|
|
Molecular_Structure:
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['1 . Molar refractive index 3396 ', '2 . Molar volume 1234 ', '3 . Parachor （902K）2863 ', '4 . Surface tension 289 ', '5 . Polarizability 1346']
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Computational_Chemistry:
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['1. XlogP :18 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :708 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :2 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
Exact_Mass:
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114.104462
|
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Melting_Point:
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-74ºC
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Refractive_Index:
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1.463
|
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Density:
|
0.9±0.1 g/cm3
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