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Molecular_Structure:
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['1 . Molar refractive index 3129 ', '2 . Molar volume （m3/mol）1258 ', '3 . Parachor （902K）2823 ', '4 . Surface tension 253 ', '5 . Polarizability 1240']
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|
Flash_Point:
|
41.1±0.0 °C
|
|
Refractive_Index:
|
1.412
|
|
FW:
|
102.175
|
|
Density:
|
0.8±0.1 g/cm3
|
|
Bolling_Point:
|
133.5±8.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :17 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :414 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '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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|
LogP:
|
1.57
|
|
PSA:
|
20.23000
|
|
MF:
|
C6H14O
|
|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）0802g/mLat 25°C(lit)3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow ', '5. Boiling point（ºC,Atmospheric pressure）132°C(lit)6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexn 20/D 14630(lit)8. Flash point（ºC）106°F10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（kPa,25ºC）Unknow ', '12. Saturated vapor pressure（kPa,60ºC）Unknow ', '13. Combustion heat（KJ/mol）Unknow ', '14. Critical temperature（ºC）Unknow ', '15. Critical pressure（KPa）Unknow ', '16. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17. Upper limit of explosion（%,V/V）Unknow ', '18. Lower limit of explosion（%,V/V）Unknow ', '19. Solubility Unknow']
|
|
Vapor_Pressure:
|
3.7±0.5 mmHg at 25°C
|
|
Exact_Mass:
|
102.104462
|
