Rapid and Accurate Estimation of Densities of Room-Temperature Ionic Liquids and Salts

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• 作者：Chengfeng Ye ; Jean'ne M. Shreeve
• 刊名：Journal of Physical Chemistry A
• 出版年：2007
• 出版时间：March 1, 2007
• 年：2007
• 卷：111
• 期：8
• 页码：1456 - 1461
• 全文大小：79K
• 年卷期：v.111,no.8(March 1, 2007)
• ISSN：1520-5215

文摘

Volume parameters for room-temperature ionic liquids (RTILs) and salts were developed. For 59 of the mostcommon imidazolium, pyridinium, pyrrolidinium, tetralkylammonium, and phosphonium-based RTILs, themean absolute deviation (MAD) of the densities is 0.007 g cm^-3; for 35 imidazolium-based room-temperaturesalts, the MAD is 0.020 g cm^-3; and for 150 energetic salts, the MAD is 0.035 g cm^-3. The experimentaldensity (Y) for an alkylated imidazolium or pyridinium-based room-temperature ionic liquid is approximatelyproportional to its calculated density (X) in the solid state: Y = 0.948X - 0.110 (correlation coefficient: R²= 0.998, for BF₄^-, PF₆^-, NTf₂^--containing ionic liquids); Y = 0.934X - 0.070 (correlation coefficient: R²= 0.999, for OTf ^-, CF₃CO₂^-, N(CN)₂^--containing ionic liquids).