|
FW:
|
172.178
|
|
MF:
|
C8H12O4
|
|
Water_Solubility:
|
insoluble
|
|
Refractive_Index:
|
1.443
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
|
Bolling_Point:
|
214.0±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
172.073563
|
|
PSA:
|
52.60000
|
|
Vapor_Density:
|
5.93 (vs air)
|
|
Computational_Chemistry:
|
['1 . XlogP 09 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 6 ', '5 . TPSA 526 ', '6 . Heavy Atom Count 12 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 164 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 1 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4271 ', '2 . Molar volume 1611 ', '3 . Parachor （902K）3871 ', '4 . Surface tension 332 ', '5 . Polarizability 1693']
|
|
LogP:
|
1.68
|
|
Melting_Point:
|
−10 °C(lit.)
|
|
Flash_Point:
|
93.3±0.0 °C
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 透明Liquid 。 ', '2 . Boiling point（ºC,1013kPa）223 ', '3 . Melting point（ºC）-88 ', '4 相对. Density（25℃，4℃）10014861 ', '5 . Relative vapor density（g/mL,Atmosphere =1）593 ', '6 . Refractive index（25ºC）14383 ', '7 黏度（mPa·s,25ºC）314 ', '8 . Flash point（ºC）93 ', '9 蒸发热（KJ/mol）523 ', '10 . Vapor pressure（kPa,30ºC）030 ', '11 体膨胀系数（K-1,20~30ºC）000094 ', '12 . Solubility 能与多种有机溶剂混溶，在苯and 氯仿中部分溶解。30℃时在Water 中溶解14%；Water 在马来酸二乙酯中溶解19%。与882%的Water 形成共沸混合物，共. Boiling point9965℃。 ', '13 相对. Density（20℃，4℃）10662 ', '14常温. Refractive index（n20）14416 ', '15液相标准热熔(J·mol-1·K-1) 2962']
|
