|
FW:
|
152.23300
|
|
Refractive_Index:
|
n20/D 1.471
|
|
Flash_Point:
|
102ºC
|
|
LogP:
|
2.56780
|
|
Bolling_Point:
|
87-88ºC/6mmHg
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）09289 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）-11 ', '5 . Boiling point（ºC,Atmospheric pressure）222 ', '6 常温. Refractive index（n20）14720 ', '7 . Refractive index1471 ', '8 . Flash point（ºC）102 ', '9 . Specific rotation（º）Unknow ', '10 . 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']
|
|
Computational_Chemistry:
|
['1. XlogP 27 ', '2. Hydrogen Bond Donor Count 0 ', '3. Hydrogen Bond Acceptor Count 1 ', '4. Rotatable Bond Count 1 ', '5. Isotope Atom Count 3 ', '6. TPSA 171 ', '7. Heavy Atom Count 11 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 181 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 2 ', '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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|
MF:
|
C10H16O
|
|
Exact_Mass:
|
152.12000
|
|
Molecular_Structure:
|
['1. Molar refractive index 4588 ', '2. Molar volume 1684 ', '3. Parachor （902K）3874 ', '4. Surface tension 279 ', '5. Dielectric constant N/A ', '6. Polarizability 1819 ', '7. Single isotope mass 152120115 Da ', '8. Nominal mass 152 Da ', '9. Average mass 1522334 Da']
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|
Density:
|
0.928 g/mL at 20ºC(lit.)
|
|
PSA:
|
17.07000
|
