NATIONAL BUREAU OF STANDARDS REPO RT 8595 PRELIMINARY REPORT ON A SURVEY OF THERMODYNAMIC PROPERTIES OF THE COMPOUNDS OF THE ELEMENTS CHNOPS i N65 2 CACC£S$IO NUMB£:R) CTHRU) ~ ___f£ / I- (PAGES) (CdOEI ::; ~ CIU - d -P?02c2/ :33 (NASA CR OR TMX OR AD NUMBER) (CATEQORY) Progress Report for the Period 1 August to 31 October 1964 to National Aeronautics and Space Administration GPO PRICE $ _____ OTS PRICE(S) $ 1 November 1964 Hard copy (He) of· cJV r Microfiche (MF) __....;... : .:::.j~I?J~_ <@> U.S. DEPARTMENT OF COMMERCE NATIONAL BUREAU OF STANDARDS THE NATIONAL BUREAU OF STANDARD S The ational Bureau of Standards is a principal focal point in the Federal Government for assuring maximum application of the physical and engineering sciences to the advancement of technology in industry and commerce. It responsibilities include development and main tena nce of the national stand· ards of measurement, and the provisions of means for making measurements consi tent with those standard ; determination of physical constants and properties of materials; development of methods for testing materials, mechanisms, and structures, and making such tests as may be nece sary, particu­ larl: for ~overn ment agencies; cooperation in the establi hment of standard practices for incorpora­ tion in codes and specifications; advisory service to government agencies on scientific and technical problems; invention and development of device to serve special needs of the Government: assi tance to indus! r). business. and consumers in the development and acceptance of commercial tandard and simplified trade practice recommendations; administration of programs in cooperation with United tates bu iness groups and standards organizations for the development of international standard of practice; and maintenance of a clearinghouse for the collection and dis emination of scientific, tech­ nical. and engineering information. The scope of the Bureau's activities is uggested in the following li!<ting of its four Institutes and their organizational units. Institute for Basic Standards. Electricity. Metrology. Heat. Radiation Physics. Mechanics. Ap­ plied \Iatht'matics. Atomic Ph)"ics. Ph) ical Chemistr). Laboratory Astrophy ics. * Radio Stand­ ards LaboratoT}: Radio StandarJs Phy ics; Radio Standards Engineering. * * Office of Standard Ref­ erence Data. Institute for Materials Research. Anal) tical Chemistry. Polymers. ~1etallurgy. Inorganic Mate­ rials. Reactor Radiations_ Cryogenics. * * Office of Standard Reference Materials. Central Radio Propagation Lahoratory. ** Ionosphere Research and Propagation. Troposphere aod Space Telecommunications. Radio System. Upper Atmosphere and Space Physics. Institute for Applied Technology. Textiles and Apparel Technology Center. Building Research. Industrial Equipment. Information Technology. Performance Test Development. Instrumentation. Transport Systems. Office of Technical Sen ices. Office of Weights and Measures. Office of Engineer­ ing Stalldards. Office of Industrial Sen·ices. • I'IB. Group. loint rn~titute for Laboratory Astrophysics at the Univer ity of Colorado . •• L'catt'd at Boulder. Colorado. NATIONAL BUREAU OF STANDARDS REPORT NBS PROJECT NBS REPORT 1 November 1964 8595 A SURVEY OF THERMODYNAMIC PROPERTIES OF THE COMPOUNDS OF THE ELEMENTS CHNOPS Geo r ge T. Armstrong, Eugene S. Doma1ski Geo r ge T. Furukawa and Mary A. Krivanec Heat Division Progress Report for the Period 1 August to 31 October 1964 to NATIONAL AERONAUTICS AND SPACE ADMINISTRATION Contract No . R-138 IMPORTANT NOTICE NATIONAL BUREAU OF STANDARDS REPORTS are usually preliminary or progress accounting documents intended for use within the Government. Before material in the repo rts is formally published it is subjected to add itiona l evaluation and review. For this reason, the publication , repri nting , reproduction, or op.en ·literature listing of this Report , either in whole or in part, is not authorize d unless pe rmission is obtained in writing from the Office of the Director, National Bureau of Standards, Wash ington , D.C. 20234. Such permission is not needed , however, by the Government agency for which the Report has been specifically prepared if tilat agency wishes to reproduce add itional copies tor its own use . <@> U.S. DEPARTMENT OF COMMERCE NATIONAL BUREAU OF STANDARDS TABLE OF CONTENTS Page Foreword • .. • 0 0 C> 0 • • • • i Introduction • • • 0 r> • • • • • 1 Section I . AnalySis of Heat-Capacity Data on Some Amino Acids 0 0 • • • 2 Section II. Heats and Free Energies of Formation of Compounds of C, H~ N, 0, P, and S • 20 FOREWORD A study at the National Bureau of Standards (NBS) , of which this is the second progress report, has been undertaken to meet the need of the National Aeronautics and Space Administration (NASA) for thermodynamic information on biologically related materials important to the space program for several reasons. Among these reasons are the necessity of inferring the maximum amount of useful chemistr y of incompletely accessible environments, for which only limited L~formation is available, the possibility of the occurrence of organic compounds naturally synthesized under primitive conditions, and the possibility of theoretically recovering part of the prebiological history of the earth. This program is being carried out under the technical supervision of Dr. George Jacobs of NASA , and with the consultation of Dr. Harold Mo rowitz of the Yale University, Department of Molecular Biology and Biophysics, and Dr . C. W. Beckett of t he Heat Division (NBS). The contract (Contract No o R- 138) was initiated May 1, 1964, and this report covers the second quarter of the term of the contr act, )/ ~ ~ 'j " . " / I, ' .. ------~---------------- '( George T. Armstrong Supervisory Chemist Project Leader i INTRODUCTION Summary of Progress on the Survey of Thermodynamic Data Follo~ing the plan outlined in the previous quarterly report, the survey of thermodynamic data on compounds of the elements C, H~ N, 0, P, and S ~as continued by t~o groups ~orking in parallel. The ~ork of one group is related to the heat capacities, enthalpies, entropies and free energies of the compounds of interest, ~hile the ~ork of the other group is concerned ~ith enthalpy changes and free energy changes in reactions of the same classes of compounds. The ~ork of the first group ~as primarily devoted to an evalua­ tion and smo othing of the available data on selected compounds for ~bich thermodynamic data covering a range of temperatures had previously been found. The results of this evaluation is given in S9ction I of this report as a series of seventeen tables. The ~ork of the second group ~as devoted to an assessment of the data on the preliminary list of compounds containing one carbon atom or fe~ er per molecule, which is found in the appendix of the first quarterly report of this contract (NBS Report 8521). The search for this data ~as not entirely complete, but provides a coverage of the available data selected from several sources ~hich perform an evaluation of existing data. The data found are sho~n L~ tabular form in Section II of this report as Table 1, preceded by a brief discussion of the completeness, and follo~ed by a list of sources of the data. Our consultant on this project, Dr. Harold Moro~itz, agreed to provide a list of more complex organic compounds, ubiquitous to living organisms. (Reference, Memorandum of August 11, 1964, Appendix, NBS Report 852~ The preparation of this list is being handled as a purchase order p When received, the list ~i11 provide a basis for search for data of more complex organic compounds. 1 Section I Anal ysis of Heat-Capacity Data on Some Amino Acids Ge orge T. Furukawa and Mary A. Krivanec The heat-capacity data on seventeen amino acids were examined and analyzed on the IBM 7094 computer. (Some of the data were on the hydrates and hydr achlorides of the amino acids. ) Thermodynamic properties were calculated f rom the smoothed values of heat capacity and tables prepared f r om 0 to 300oK. The molal values given are based on the 1961 atomic weights and t :ne energy unit calorie is equal to 4.lg40 joules. The references used in the data analysi s are listed at the bottom of each table. 2 MOlAL THERMODYNAMIC FUNCTIONS FOR GLYCINE (NH CH COOH) 2 2 SOLID PHASE GRAM MOLECUlAR wr •• 75.06765 GRAMS 1 CAL • 4.1840 JOOlES T DEO K • 273.15 + T oro C T (~-Hg) (~-Hg)/T S~ -(G~-Hg) DEG K CAL/DEG CAL CAI./DFIJ CAI./DFIJ CAL (\ , 1"'\('1('0 " . ("1'" n. o""" l"' .""" ".""" ".n"n " . ("\("\1"\ '"' .1'\" ". ""7 " ,""'q n.""2 ('\ . ('\n ? n. """, 1" . ('1(\ n . n64 ".""1 (1 . 1 <;< n . l'llS n . n2 1 " . nSf) "I . ('I "~ 1" . " .... " . 232 ('I . R~7 n . I"l55 " . n 7 3 " . 26 6 n . " 18 2" , ""'" " . '17" 7 . 765 r . 138 n . I H2 0 . 876 t') . n4~ ?5. i''' 1 . "67 6 . 8n3 n . 272 n . 3sn 2 . 2 " 3 n . '18 8 ~('l . "(\ 1 . 682 13 . 634 n . 454 0 . 6rl8 4 . 594 'l . 153 35 . 0n 2 . 377 2J . 757 n . 67~ n . 91b d . 384 0 . 24 0 0 . 00 'l . 1'18 3 1. 4 5S n . "'~6 1 . 283 13 . 868 0 . 34 7 45 • .J() 3 . 85~ '4 . ~63 1 . 21~ 1 . 692 2 1 . 290 0 . 47 3 5n . ()r 4 . I,r)~ 7 • () I" 1. 52() 2 . 117 30 . 85n 1'1 . 6 1 7 :-c; . ,"," 1""' . -:n 7 1()() . 81 1 . 833 2 . 609 42 . 7() 7 f) . 776 r," . ,')f" ~, . n lr' 129 . 14 2 . 152 3 . 1"2 56 . 978 '1 . 0 5" b5 . n f' (' . 671 160 . 86 2 . 4 75 3 . 6n9 7 3 . 7 52 I . 1,5 7" . 0" 7 . 284 19~ . 77 2 . 7"17 4 . 127 93 . "8'1 1 . 3, 1'1 7~ . Q'" 7 . 862 23' . 60 3 . 115 4 . 649 115 . n3 1 . 514 8,," .