Project Details:

Heat capacity of liquids: critical review and recommended values for liquids with data published between 2000 and 2004

Project No.:2004-010-3-100
Start date:2004-08-26
End date:2010-12-31
Division:Physical and Biophysical Chemistry Division
Objective:
To update and extend two publications that contained recommended dataon liquid heat capacities for almost 2000 mostly organic compounds,"Heat Capacity of Liquids: Critical Review and Recommended Values"(1) and its "Supplement I" (2) by M. Zábranský,V. Ruzicka, V. Majer, and E.S. Domalski published in Journal ofPhysical and Chemical Reference Data in 1996 and 2001. The publicationswere the product of IUPAC Projects 121/11/87 and 2000-031-1-100.

(1) J. Phys. Chem. Ref. Data, Monograph No. 6(1996)
(2) J. Phys. Chem. Ref. Data 30, 1199 (2001); doi:10.1063/1.1407866

Description:
Experimental data on heat capacities of pure liquid organic and some inorganic compounds published in the primary literature between 2000 and 2004 will be compiled, critically evaluated and recommended values provided. Recommended data supplemented with an assessment of their uncertainty and presented in terms of parameters of correlating equations for temperature dependence of heat capacities will be developed by critical assessment of literature calorimetrically determined heat capacities. The work will be an update of a two-volume monograph, that was published in 1996 as a Monograph No.6 of the Journal of Physical and Chemical Reference Data, and of its Supplement I, published in J. Phys. Chem. Ref. Data 30, 1199-1689 (2001). The updated and extended database will contain data for about 250 compounds taken from more than 120 literature references. The whole work consisting of the monograph and of its two supplements will also provide an exhaustive survey of the literature for all isobaric and saturation heat capacities for pure organic and inorganic compounds in the liquid state having a melting point below 573 K. The literature survey includes references to the original paper and to the description of the experimental equipment used for heat capacity data determination and serves as a valuable source of references. The overall number of compounds in the whole database of recommended data will exceed 2000.
Progress:

Jan 2005 - project announcement published in Chem. Int. Jan-Feb 2005

June 2005 - The new literature search has located about 150papers that report results for calorimetric measurements of liquidheat capacities of about 300 compounds having their melting temperaturebelow 573 K. The existing database for experimental results is beingexpanded to include these new results and will be complete duringNovember 2005.

June 2007 - Updating the databases of experimentaldata has been completed. New data on calorimetrically measured liquidheat capacities of compounds having their melting temperature below573K published in 193 primary literature sources between 1999 and 2006 were entered into computer readable databases. Compounds weredivided into several families. New data for 411 compounds were entered,out of them 202 compounds being new additions, not covered in theprevious work. That represents 479 new data sets, each data set consistingof a table of heat capacity and the corresponding temperature. Thenew additions include data for 3 inorganic compounds and for 50 ionicliquids. Most of the new data cover organic substances (408 compounds,202 of them new additions).

Data for all compounds from the current databases includingthe new data are presently being correlated.
At present the timetable is as follows:
1. Nov 2007: completion of critical assessment of data, correlation
2. Feb 2008: submission of manuscript for publication in J. Phys.Chem. Ref. Data

Dec 2007 - Separately, an extension of the estimationmethod for heat capacity of liquids as a function of temperature utilizingthe updated database of recommended data (Kolská, Z.; Kukal,J., Zábranský, M., Ružicka, V. Estimation of theHeat Capacity of Organic Liquids as a Function of Temperature by aThree-Level Group Contribution Metho) has been submitted for publicationto Ind. Eng. Chem. Res.

Feb 2008 - The article by Kolská, Z. et al has been published as Ind. Eng. Chem. Res. 2008, 47 (6), pp 2075–2085 [DOI:10.1021/ie071228z]

Dec 2010 - project completed - a paper entitled “Heat Capacity of Liquids: Critical Review and Recommended Values. Supplement II“ was published in J. Phys. Chem. Ref. Data, Vol.39, No. 1, p. 1-404, 2010, [doi:10.1063/1.3182831].

The bulk of the compiled data covers data published in the primary literature between 2000 and 2006 and includes some data published in 2007. However, some data from older sources are also included. The paper includes new data on heat capacities for 205 compounds not included in Monograph No. 6 (M. Zábranský, V. Růžička Jr., V. Majer, and E. S. Domalski, Heat Capacity of Liquids. Critical Review and Recommended Values, Monograph No. 6, American Chemical Society, Washington DC, 1996, Vols. I and II) or in Supplement I (M. Zábranský, V. Růžička, Jr., and E. S. Domalski, J. Phys. Chem. Ref. Data 30, 1199 _2001). The list of families of compounds covered was extended by ionic liquids. Also included are new data that either extend the temperature range of recommended data for compounds already presented in the two works mentioned above or improve the overall uncertainty of the recommended data by supplying new data that have a lower error of measurement; this pertains to more than 150 compounds. Finally, references to new data for about 80 compounds are simply presented in a review of primary sources where new measurements do not extend or improve the previously developer recommended data.The full database covering also data from the two works mentioned above contains data for 2188 compounds retrieved from 2080 literature references.