|
MF:
|
C14H18O4
|
|
Bolling_Point:
|
317.3±10.0 °C at 760 mmHg
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|
Exact_Mass:
|
250.120514
|
|
More_Info:
|
['1. Melting point（ºC）-31 ', '2. Boiling point（ºC）3175 ', '3相对. Density（20℃，4℃）10772 ', '4 . Flash point（ºC）＞110 ', '5 . Refractive index(n20D)1497 ', '6 . Appearance Colourless 透明Liquid 。 ', '7 . Solubility Soluble in Ethanol Ethyl ether ，Insoluble in Water 。']
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|
PSA:
|
52.60000
|
|
Flash_Point:
|
166.3±8.5 °C
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :247 ', '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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|
Density:
|
1.1±0.1 g/cm3
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 6833 ', '2 . Molar volume 2312 ', '3 . Parachor （902K）5761 ', '4 . Surface tension 385 ', '5 . Polarizability 2708']
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|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
FW:
|
250.290
|
|
LogP:
|
3.76
|
|
Refractive_Index:
|
1.503
|
