|
Refractive_Index:
|
1.537
|
|
Vapor_Pressure:
|
0.0±1.6 mmHg at 25°C
|
|
Flash_Point:
|
208.7±21.1 °C
|
|
LogP:
|
-3.00
|
|
Bolling_Point:
|
330.0±0.0 °C at 760 mmHg
|
|
Water_Solubility:
|
soluble
|
|
PSA:
|
80.92000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2663 ', '2 . Molar volume 853 ', '3 . Parachor （902K）2529 ', '4 . Surface tension 772 ', '5 . Polarizability 1055']
|
|
Computational_Chemistry:
|
['1 . XlogP -23 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 809 ', '6 . Heavy Atom Count 8 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 48 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 2 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
118-120 °C(lit.)
|
|
MF:
|
C4H10O4
|
|
Exact_Mass:
|
122.057907
|
|
FW:
|
122.120
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 结晶 ', '2 . Melting point（℃）120~123 ', '3 . Boiling point（℃）329～331 ', '4 相对. Density（g/mL,Atmosphere =1）1451 ', '5 . Flash point329-331℃ ', '6 . Solubility 极易Soluble in Water ，Soluble in 吡啶，微Soluble in 醇，几乎Insoluble in 醚。 ', '7. Boiling point（ºC）3305 ', '8相对. Density（20℃，4℃）1451 ', '9气相标准. Combustion heat(焓)(kJ·mol-1)-22279 ', '10气相标准声称热(焓)( kJ·mol-1) -7752 ', '11液相标准. Combustion heat(焓)(kJ·mol-1)-21161 ', '12液相标准声称热(焓)( kJ·mol-1)-8870 ', '13晶相相标准. Combustion heat(焓)(kJ·mol-1)-20928 ', '14晶相标准声称热(焓)( kJ·mol-1)-9104']
|
