3-Pentanol

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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
Δfgas-317.2kJ/molN/ASachek, Peshchenko, et al., 1974Value computed using ΔfHliquid° value of -368.9±0.8 kj/mol from Sachek, Peshchenko, et al., 1974 and ΔvapH° value of 51.7 kj/mol from Chao and Rossini, 1965.; DRB
Δfgas-314.7 ± 1.1kJ/molEqkBuckley and Herington, 1965Reanalyzed by Cox and Pilcher, 1970, Original value = -315.4 kJ/mol; ALS
Δfgas-318.6 ± 1.5kJ/molCcbChao and Rossini, 1965Heat of formation derived by Cox and Pilcher, 1970; ALS
Quantity Value Units Method Reference Comment
gas382.21J/mol*KN/ABuckley E., 1965This value was obtained from the measurements of gas-phase equilibrium constants.; GT

Condensed 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-368.9 ± 0.79kJ/molCcbSachek, Peshchenko, et al., 1974Heat of combustion not reported; ALS
Δfliquid-370.3 ± 0.59kJ/molCcbChao and Rossini, 1965see Rossini, 1934; ALS
Quantity Value Units Method Reference Comment
Δcliquid-3312.3 ± 0.46kJ/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding Δfliquid = -370.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
239.7298.Conti, Gianni, et al., 1976DH

Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil388. ± 2.KAVGN/AAverage of 36 out of 37 values; Individual data points
Quantity Value Units Method Reference Comment
Tc559.6 ± 0.5KN/AGude and Teja, 1995 
Tc559.6KN/ATeja, Lee, et al., 1989TRC
Tc559.6KN/ASmith, Anselme, et al., 1986Uncertainty assigned by TRC = 0.25 K; TRC
Quantity Value Units Method Reference Comment
Vc0.325l/molN/AGude and Teja, 1995 
Quantity Value Units Method Reference Comment
ρc3.07mol/lN/AGude and Teja, 1995 
ρc3.07mol/lN/ASmith, Anselme, et al., 1986Uncertainty assigned by TRC = 0.23 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap54.03kJ/molN/AMajer and Svoboda, 1985 
Δvap53.2 ± 0.1kJ/molEBPeschenko, Shvaro, et al., 1988See also Kulikov, Verevkin, et al., 2001.; AC
Δvap51.7 ± 1.3kJ/molVChao and Rossini, 1965Heat of formation derived by Cox and Pilcher, 1970; ALS
Δvap52.9kJ/molCMcCurdy and Laidler, 1963AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
387.70.999Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
59.9260.AStephenson and Malanowski, 1987Based on data from 245. to 390. K.; AC
49.6332.N/ASachek, Markovnik, et al., 1984Based on data from 317. to 389. K.; AC
53.6294.N/ACabani, Conti, et al., 1975Based on data from 279. to 318. K.; AC
50.2319.N/AWilhoit and Zwolinski, 1973Based on data from 294. to 389. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
9.08204.2Lohmann, Joh, et al., 1997AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

C5H11O- + Hydrogen cation = 3-Pentanol

By formula: C5H11O- + H+ = C5H12O

Quantity Value Units Method Reference Comment
Δr1560. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Δr1559. ± 12.kJ/molG+TSBoand, Houriet, et al., 1983gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr1532. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Δr1532. ± 11.kJ/molCIDCBoand, Houriet, et al., 1983gas phase; value altered from reference due to change in acidity scale; B

Hydrogen + 3-Pentanone = 3-Pentanol

By formula: H2 + C5H10O = C5H12O

Quantity Value Units Method Reference Comment
Δr-56.74kJ/molEqkBuckley and Herington, 1965gas phase; ALS

3-Pentanol = Hydrogen + 3-Pentanone

By formula: C5H12O = H2 + C5H10O

Quantity Value Units Method Reference Comment
Δr56.74kJ/molEqkBuckley and Herington, 1965gas phase; ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.

Sachek, Peshchenko, et al., 1974
Sachek, A.I.; Peshchenko, A.D.; Andreevskii, D.N., Heats of formation of secondary pentanols and hexanols, Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 617. [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]

Buckley and Herington, 1965
Buckley, E.; Herington, E.F.G., Equilibria in some secondary alcohol + hydrogen + ketone systems, Trans. Faraday Soc., 1965, 61, 1618-1625. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Buckley E., 1965
Buckley E., Equilibria in some secondary alcohol + hydrogen + ketone systems, Trans. Faraday Soc., 1965, 61, 1618-1625. [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]

Conti, Gianni, et al., 1976
Conti, G.; Gianni, P.; Matteoli, E.; Mengheri, M., Capacita termiche molari di alcuni composti organici mono- e bifunzionali nel liquido puro e in soluzione acquosa a 25C, Chim. Ind. (Milan), 1976, 58, 225. [all data]

Gude and Teja, 1995
Gude, M.; Teja, A.S., Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols, J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]

Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J., Correlation of the Critical Properties of Alkanes and Alkanols in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [all data]

Smith, Anselme, et al., 1986
Smith, R.L.; Anselme, M.J.; Teja, A.S., The Critical Temperatures of Isomeric Pentanols and Heptanols, Fluid Phase Equilib., 1986, 31, 161. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Peschenko, Shvaro, et al., 1988
Peschenko, A.D.; Shvaro, O.V.; Zubkov, V.I., Termodin. Org. Soedin. Gor'kii, 1988, 39. [all data]

Kulikov, Verevkin, et al., 2001
Kulikov, Dmitry; Verevkin, Sergey P.; Heintz, Andreas, Determination of Vapor Pressures and Vaporization Enthalpies of the Aliphatic Branched C 5 and C 6 Alcohols, J. Chem. Eng. Data, 2001, 46, 6, 1593-1600, https://doi.org/10.1021/je010187p . [all data]

McCurdy and Laidler, 1963
McCurdy, K.G.; Laidler, K.J., HEATS OF VAPORIZATION OF A SERIES OF ALIPHATIC ALCOHOLS, Can. J. Chem., 1963, 41, 8, 1867-1871, https://doi.org/10.1139/v63-274 . [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Sachek, Markovnik, et al., 1984
Sachek, A.I.; Markovnik, V.S.; Peshchenko, A.D.; Shvaro, A.V.; Andreevskii, D.N., Khim. Prom-st. (Moscow), 1984, 337. [all data]

Cabani, Conti, et al., 1975
Cabani, Sergio; Conti, G.; Mollica, V.; Lepori, L., Thermodynamic study of dilute aqueous solutions of organic compounds. Part 4.---Cyclic and straight chain secondary alcohols, J. Chem. Soc., Faraday Trans. 1, 1975, 71, 0, 1943, https://doi.org/10.1039/f19757101943 . [all data]

Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]

Lohmann, Joh, et al., 1997
Lohmann, J.; Joh, R.; Gmehling, J., Solid-Liquid Equilibria of Viscous Binary Mixtures with Alcohols, J. Chem. Eng. Data, 1997, 42, 6, 1170-1175, https://doi.org/10.1021/je9700683 . [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

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