|
Refractive_Index:
|
n20/D 1.417
|
|
Vapor_Pressure:
|
0.233mmHg at 25°C
|
|
Flash_Point:
|
81 °C
|
|
LogP:
|
2.91000
|
|
Bolling_Point:
|
201-203 °C(lit.)
|
|
FW:
|
172.26500
|
|
PSA:
|
26.30000
|
|
Computational_Chemistry:
|
['1. XlogP :33 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :110 ', '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']
|
|
MF:
|
C10H20O2
|
|
Exact_Mass:
|
172.14600
|
|
Molecular_Structure:
|
['1. Molar refractive index 5015 ', '2. Molar volume 1970 ', '3. Parachor （902K）4547 ', '4. Surface tension 283 ', '5. Polarizability 1988']
|
|
Density:
|
0.865 g/mL at 20 °C(lit.)
|
|
More_Info:
|
['1. Appearance Colourless Liquid ，有苹果香味。 ', '2. Melting point（℃）-785 ', '3. Boiling point（℃）2037~2059 ', '4相对. Density（Water =1）086（19℃） ', '5相对蒸气. Density（Atmosphere =1）45 ', '6. Saturated vapor pressure（kPa）0746（25℃） ', '7. Combustion heat（kJ/mol）-57604 ', '8. Critical temperature（℃）3261 ', '9. Critical pressure（MPa）284 ', '10Octanol /Water 分配系数381 ', '11. Flash point（℃）6667 ', '12引燃温度（℃）379 ', '13. Upper limit of explosion（%）75 ', '14. Lower limit of explosion（%）10 ', '15. Solubility 微Soluble in Water ，可混Soluble in Ethanol Ethyl ether 。']
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