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1-Heptanol

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-340. ± 40.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
gas485.8 ± 4.2J/mol*KN/AGreen J.H.S., 1961Values obtained by applying the methylene increment to data for the lower alcohols [ Chermin H.A.G., 1961, Green J.H.S., 1961, Thermodynamics Research Center, 1997] are lower than this third-law entropy by 5.3-6.4 J/mol*K.; GT

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-403.4 ± 0.5kJ/molCcbMosselman and Dekker, 1975ALS
Deltafliquid-403.2 ± 0.8kJ/molCcbHayes, 1971DRB
Deltafliquid-398.8 ± 0.84kJ/molCcbChao and Rossini, 1965see Rossini, 1934; ALS
Deltafliquid-409.4 ± 2.3kJ/molCcbGreen, 1960ALS
Deltafliquid-460.4 ± 3.0kJ/molCcbVerkade and Coops, 1927estimated uncertainty; DRB
Quantity Value Units Method Reference Comment
Deltacliquid-4637.8 ± 0.5kJ/molCcbMosselman and Dekker, 1975Corresponding «DELTA»fliquid = -403.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4638.01 ± 0.79kJ/molCcbHayes, 1971Corresponding «DELTA»fliquid = -403.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4642.52 ± 0.71kJ/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding «DELTA»fliquid = -398.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4631.9 ± 2.3kJ/molCcbGreen, 1960Corresponding «DELTA»fliquid = -409.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4631.90kJ/molCcbVerkade and Coops, 1927Corrected for 298 and 1 atm.; Corresponding «DELTA»fliquid = -409.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid325.9J/mol*KN/AParks, Kennedy, et al., 1956Extrapolation below 80 K, 65.06 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
270.8298.15Vesely, Barcal, et al., 1989T = 298.15 to 318.15 K.; DH
272.29298.15Andreoli-Ball, Patterson, et al., 1988DH
297.0303.35Naziev and Bashirov, 1988T = 303 to 447 K. p = 0.1 MPa. Unsmoothed experimental datum given as 2.556 kJ/kg*K. Cp data given at pressures from 0.1 to 50 MPa.; DH
273.67298.15Zegers and Somsen, 1984DH
278.9302.97Griigo'ev, Yanin, et al., 1979T = 303 to 462 K. p = 0.98 bar.; DH
274.1298.Hutchinson and Bailey, 1959DH
278.57298.15Parks, Kennedy, et al., 1956T = 80 to 300 K.; DH

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C7H15O- + Hydrogen cation = 1-Heptanol

By formula: C7H15O- + H+ = C7H16O

Quantity Value Units Method Reference Comment
Deltar1567. ± 8.8kJ/molG+TSHiggins and Bartmess, 1998gas phase
Deltar1564. ± 13.kJ/molCIDCHaas and Harrison, 1993gas phase; Kinetic method gives energy-dependent results.
Deltar1559. ± 12.kJ/molG+TSBoand, Houriet, et al., 1983gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar1540. ± 8.4kJ/molIMREHiggins and Bartmess, 1998gas phase
Deltar1536. ± 13.kJ/molH-TSHaas and Harrison, 1993gas phase; Kinetic method gives energy-dependent results.
Deltar1531. ± 11.kJ/molCIDCBoand, Houriet, et al., 1983gas phase; value altered from reference due to change in acidity scale

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Green J.H.S., 1961
Green J.H.S., Thermodynamic properties of the normal alcohols C1-C12, J. Appl. Chem., 1961, 11, 397-404. [all data]

Chermin H.A.G., 1961
Chermin H.A.G., Thermo data for petrochemicals. Part 28. Gaseous normal alcohols. The important thermo properties are presented for all the gaseous normal alcohols from methanol through n-decanol, Petrol. Refiner, 1961, 40 (4), 127-130. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Mosselman and Dekker, 1975
Mosselman, C.; Dekker, H., Enthalpies of formation of n-alkan-1-ols, J. Chem. Soc. Faraday Trans. 1, 1975, 417-424. [all data]

Hayes, 1971
Hayes, C.W., Bomb calorimetric studies on normal alkan-1-ols, steroregular polymethylmethacrylates, «alpha»-olefinic polymers, trioxane and oxygenated polymers, Diss. Abs., 1971, 31, 5903-5904. [all data]

Chao and Rossini, 1965
Chao, J.; Rossini, F.D., Heats of combustion, formation, and isomerization of nineteen alkanols, J. Chem. Eng. Data, 1965, 10, 374-379. [all data]

Rossini, 1934
Rossini, F.D., Heats of combustion and of formation of the normal aliphatic alcohols in the gaseous and liquid states, and the energies of their atomic linkages, J. Res. NBS, 1934, 13, 189-197. [all data]

Green, 1960
Green, J.H.S., Revision of the values of the heats of formation of normal alcohols, Chem. Ind. (London), 1960, 1215-1216. [all data]

Verkade and Coops, 1927
Verkade, P.E.; Coops, J., Jr., Calorimetric researches XIV. Heats of combustion of successive members of homologous series: the normal primary aliphatic alcohols, Recl. Trav. Chim. Pays-Bas, 1927, 46, 903-917. [all data]

Parks, Kennedy, et al., 1956
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L., Thermal data on organic compounds. XXVI. Some heat capacity, entropy and free energy data for seven compounds containing oxygen., Not In System, 1956, 78, 56-59. [all data]

Vesely, Barcal, et al., 1989
Vesely, F.; Barcal, P.; Zabransky, M.; Svoboda, V., Heat capacities of 4-methyl-2-pentanone, 2,6-dimethyl-4-heptanone, 1-hexanol, 1-heptanol, and 1-octanol in the temperature range 298-318 K, Collect. Czech. Chem. Commun., 1989, 54, 602-607. [all data]

Andreoli-Ball, Patterson, et al., 1988
Andreoli-Ball, L.; Patterson, D.; Costas, M.; Caceres-Alonso, M., Heat capacity and corresponding states in alkan-1-ol-n-alkane systems, J. Chem. Soc., Faraday Trans. 1, 1988, 84(11), 3991-4012. [all data]

Naziev and Bashirov, 1988
Naziev, Ya.M.; Bashirov, M.M., Isobaric specific heats of higher alcohols at elevated pressures, Teplofiz. Vysok. Temp., 1988, 26, 58-62. [all data]

Zegers and Somsen, 1984
Zegers, H.C.; Somsen, G., Partial molar volumes and heat capacities in (dimethylformamide + an n-alkanol), J. Chem. Thermodynam., 1984, 16, 225-235. [all data]

Griigo'ev, Yanin, et al., 1979
Griigo'ev, B.A.; Yanin, G.S.; Rastorguev, Yu.L.; Thermophysical parameters of alcohols, Tr. GIAP, 54, 1979, 57-64. [all data]

Hutchinson and Bailey, 1959
Hutchinson, E.; Bailey, L.G., A thermodynamic study of colloidal electrolyte solutions. II. Heat capacities of solubilized systems, experimental, Z. Physik. Chem. [N.G.], 1959, 21, 30-37. [all data]

Higgins and Bartmess, 1998
Higgins, P.R.; Bartmess, J.E., The Gas Phase Acidities of Long Chain Alcohols., Int. J. Mass Spectrom., 1998, 175, 1-2, 71-79, https://doi.org/10.1016/S0168-1176(98)00125-6 . [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Boand, Houriet, et al., 1983
Boand, G.; Houriet, R.; Baumann, T., The gas phase acidity of aliphatic alcohols, J. Am. Chem. Soc., 1983, 105, 2203. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References