|
Refractive_Index:
|
1.425
|
|
Flash_Point:
|
49.4ºC
|
|
LogP:
|
1.94750
|
|
Bolling_Point:
|
143ºC at 760mmHg
|
|
FW:
|
116.20100
|
|
PSA:
|
20.23000
|
|
Computational_Chemistry:
|
['1. XlogP :19 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :614 ', '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']
|
|
MF:
|
C7H16O
|
|
Exact_Mass:
|
116.12000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 3597 ', '2 . Molar volume 1416 ', '3 . Parachor （902K）3224 ', '4 . Surface tension 268 ', '5 . Polarizability 1426']
|
|
Density:
|
0.823
|
|
More_Info:
|
['一物性数据 ', '1 . Boiling point（ºC,Atmospheric pressure）143°C01mm Hg(lit) ', '2 . Density0823g/mLat 25°C(lit ', '3 . Refractive index（n20/D） 1426(lit) ', '4 . Flash point（ºC）45 ', '5 . Boiling point（ºC）1424 ', '6 相对. Density（20℃，4℃）0823 ', '7 相对. Density（25℃，4℃）08204 ', '8 常温. Refractive index（n25）1421']
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