|
Refractive_Index:
|
1.418
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
|
Flash_Point:
|
103.3±0.0 °C
|
|
LogP:
|
0.62
|
|
Bolling_Point:
|
211.2±0.0 °C at 760 mmHg
|
|
Water_Solubility:
|
53 g/L
|
|
PSA:
|
52.60000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2802 ', '2 . Molar volume 1510 ', '3 . Parachor （902K）3601 ', '4 . Surface tension 323 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1507']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :125 ', '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']
|
|
Melting_Point:
|
−13 °C(lit.)
|
|
Exact_Mass:
|
160.073563
|
|
FW:
|
160.168
|
|
Density:
|
1.1±0.1 g/cm3
|
|
MF:
|
C7H12O4
|
|
Freezing_Point:
|
-42.5℃
|
|
More_Info:
|
['1 . Appearance Colourless 透明Liquid 。 ', '2 . Density（g/mL,25℃）109 ', '3相对. Density（25℃，4℃）10450635 ', '4 . Melting point（ºC）-425 ', '5 . Boiling point（ºC）214751 ', '6 . Boiling point（ºC,737mmHg）96-103 ', '7 . Refractive index（n 20/D ）14242 8 . Flash point（ºC）1033 9 相对. Density（20℃，4℃）10876 10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）02 ', '12 晶相相标准. Combustion heat(焓)(kJ·mol-1)-36079 ', '13 晶相标准声称热(焓)( kJ·mol-1)-8615 ', '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 Soluble in 醇；醚，微Soluble in Water 。Water 溶性53 g/L。']
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