|
Refractive_Index:
|
1.429
|
|
Vapor_Pressure:
|
0.5±0.3 mmHg at 25°C
|
|
Flash_Point:
|
57.2±0.0 °C
|
|
LogP:
|
1.97
|
|
Bolling_Point:
|
193.0±0.0 °C at 760 mmHg
|
|
PSA:
|
43.37000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5011 ', '2 . Molar volume 1943 ', '3 . Parachor （902K）4499 ', '4 . Surface tension : 287 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1986']
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|
Computational_Chemistry:
|
['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 434 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :191 ', '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:
|
C10H18O3
|
|
Exact_Mass:
|
186.125595
|
|
FW:
|
186.248
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Liquid 。 ', '2 . Density（g/mL,25/4℃） 0918 ', '3 液相标准声称热(焓)( kJ·mol-1)-7800 ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）1925 ', '6 常温. Refractive index（n20）14093 ', '7 . Refractive index 1409 ', '8 . Flash point（ºC） 57 ', '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']
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