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Physical and Biophysical Chemistry Division (I)


Number: 2004-010-3-100

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

Task Group
: Vlastimil Ruzicka

Members: Eugene Domalski, Zdenka Kolská, Milan Zábranský

To update and extend two publications that contained recommended data on 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 of Physical and Chemical Reference Data in 1996 and 2001. The publications were 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

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.

June 2005 - The new literature search has located about 150 papers that report results for calorimetric measurements of liquid heat capacities of about 300 compounds having their melting temperature below 573 K. The existing database for experimental results is being expanded to include these new results and will be complete during November 2005.

June 2007 - Updating the databases of experimental data has been completed. New data on calorimetrically measured liquid heat capacities of compounds having their melting temperature below 573K published in 193 primary literature sources between 1999 and
2006 were entered into computer readable databases. Compounds were divided into several families. New data for 411 compounds were entered, out of them 202 compounds being new additions, not covered in the previous work. That represents 479 new data sets, each data set consisting of a table of heat capacity and the corresponding temperature. The new additions include data for 3 inorganic compounds and for 50 ionic liquids. Most of the new data cover organic substances (408 compounds, 202 of them new additions).

Data for all compounds from the current databases including the 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 estimation method for heat capacity of liquids as a function of temperature utilizing the updated database of recommended data (Kolská, Z.; Kukal, J., Zábranský, M., Ružicka, V. Estimation of the Heat Capacity of Organic Liquids as a Function of Temperature by a Three-Level Group Contribution Metho) has been submitted for publication to Ind. Eng. Chem. Res.

Last update: 14 December 2007

<project announcement published in Chem. Int. Jan/Feb 2005>


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