|
Refractive_Index:
|
1.440
|
|
Vapor_Pressure:
|
0.1±0.8 mmHg at 25°C
|
|
Flash_Point:
|
98.3±0.0 °C
|
|
LogP:
|
-0.05
|
|
Bolling_Point:
|
196.2±23.0 °C at 760 mmHg
|
|
Water_Solubility:
|
soluble
|
|
PSA:
|
46.53000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2824 ', '2 . Molar volume 1071 ', '3 . Parachor （902K）2615 ', '4 . Surface tension 354 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1119']
|
|
Vapor_Density:
|
>1 (vs air)
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 465 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :877 ', '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:
|
-60 °C
|
|
MF:
|
C5H8O3
|
|
Exact_Mass:
|
116.047340
|
|
FW:
|
116.115
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,20/4℃）11098 ', '3 . Relative vapor density（g/mL,Atmosphere =1）>1 ', '4 . Melting point（ºC）-70 ', '5 . Boiling point（ºC, 667Pa）74-75 ', '6 . Boiling point（ºC, 16kPa）90～92 ', '7 . Refractive index14469 ', '8 . Flash point（开杯，ºC）104 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）<01 mm Hg ', '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 与Water 混溶，Soluble in 一般有机溶剂。商品一般含阻聚剂氢醌一甲基醚400ppm。']
|
