Pentanoic acid

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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.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-491. ± 20.kJ/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
gas439.82 ± 0.63J/mol*KN/AMcDougall L.A., 1965GT

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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil459. ± 2.KAVGN/AAverage of 33 out of 40 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus239.7KN/AAdriaanse, Dekker, et al., 1964Uncertainty assigned by TRC = 0.1 K; TRC
Tfus238.7KN/ATimmermans, 1935Uncertainty assigned by TRC = 1.5 K; TRC
Tfus238.65KN/ATimmermans, 1934Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Ttriple239.49KN/AMcDougall and Kilpatrick, 1965Uncertainty assigned by TRC = 0.06 K; TRC
Quantity Value Units Method Reference Comment
Tc644. ± 10.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc36.30barN/ATeja and Rosenthal, 1991Uncertainty assigned by TRC = 0.30 bar; TRC
Pc36.28barN/AAndereya and Chase, 1990Uncertainty assigned by TRC = 0.40 bar; TRC
Pc36.00barN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 1.00 bar; TRC
Pc35.644barN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 0.90 bar; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
ρc2.94mol/lN/ATeja and Anselme, 1990Uncertainty assigned by TRC = 0.06 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap65. ± 5.kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
57.9388.EBAmbrose and Ghiassee, 1987, 2Based on data from 373. to 465. K.; AC
58.0390.AStephenson and Malanowski, 1987Based on data from 375. to 523. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
345.6 to 446.93.2075879.771-172.237Kahlbaum, 1883Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
14.1616239.49McDougall and Kilpatrick, 1965, 2DH
14.16239.5Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
59.13239.49McDougall and Kilpatrick, 1965, 2DH

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:


Henry's Law 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 by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference
2200.6900.QN/A
2200.6583.MN/A

Gas phase ion energetics 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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference Comment
10.53PEWatanabe, Yokoyama, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H4O2+10.8 ± 0.1C3H6EIAudier, Milliet, et al., 1985LBLHLM
C2H5O2+10.4 ± 0.1C3H5EIAudier, Milliet, et al., 1985LBLHLM
C2H402+10.56 ± 0.05C3H6EIHolmes and Lossing, 1980LLK
C2H402+10.56C3H6EIHolmes and Lossing, 1980, 2LLK

De-protonation reactions

C5H9O2- + Hydrogen cation = Pentanoic acid

By formula: C5H9O2- + H+ = C5H10O2

Quantity Value Units Method Reference Comment
Δr1449. ± 8.8kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Δr1448. ± 10.kJ/molG+TSMcLuckey, Cameron, et al., 1981gas phase; B
Quantity Value Units Method Reference Comment
Δr1419. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase; B
Δr1419. ± 9.6kJ/molCIDCMcLuckey, Cameron, et al., 1981gas phase; B

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Notes

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

McDougall L.A., 1965
McDougall L.A., Entropy and related thermodynamic properties of n-valeric acid, J. Chem. Phys., 1965, 42, 2307-2310. [all data]

Adriaanse, Dekker, et al., 1964
Adriaanse, N.; Dekker, H.; Coops, J., Some Physical Constants of Normal, Saturated Fatty Acids and Their Methyl Esters, Recl. Trav. Chim. Pays-Bas, 1964, 83, 557. [all data]

Timmermans, 1935
Timmermans, J., Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds., Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]

Timmermans, 1934
Timmermans, J., Theory of Concentrated Solutions XII., Bull. Soc. Chim. Belg., 1934, 43, 626. [all data]

McDougall and Kilpatrick, 1965
McDougall, L.A.; Kilpatrick, J.E., Entropy and Related Thermodynamic Properties of n-Valeric Acid, J. Chem. Phys., 1965, 42, 2307-10. [all data]

Teja and Rosenthal, 1991
Teja, A.S.; Rosenthal, D.J., The critical pressures and temperatures of ten substances using a low residence time flow apparatus in Experimental Results for Phase Equilibria and Pure Component Properties, DIPPR DATA Series No. 1, 1991. [all data]

Andereya and Chase, 1990
Andereya, E.; Chase, J.D., Chem. Eng. Technol., 1990, 13, 304-12. [all data]

Ambrose and Ghiassee, 1987
Ambrose, D.; Ghiassee, N.B., Vapor Pressures and Critical Temperatures and Critical Pressures of Some Alkanoic Acids: C1 to C10, J. Chem. Thermodyn., 1987, 19, 505. [all data]

D'Souza and Teja, 1987
D'Souza, R.; Teja, A.S., The prediction of the vapor pressures of carboxylic acids, Chem. Eng. Commun., 1987, 61, 13. [all data]

Teja and Anselme, 1990
Teja, A.S.; Anselme, M.J., The critical properties of thermally stable and unstable fluids. I. 1985 results, AIChE Symp. Ser., 1990, 86, 279, 115-21. [all data]

Ambrose and Ghiassee, 1987, 2
Ambrose, D.; Ghiassee, N.B., Vapour pressures and critical temperatures and critical pressures of some alkanoic acids: C1 to C10, The Journal of Chemical Thermodynamics, 1987, 19, 5, 505-519, https://doi.org/10.1016/0021-9614(87)90147-9 . [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]

Kahlbaum, 1883
Kahlbaum, Georg W.A., Ueber die Abhängigkeit der Siedetemperatur vom Luftdruck, Ber. Dtsch. Chem. Ges., 1883, 16, 2, 2476-2484, https://doi.org/10.1002/cber.188301602178 . [all data]

McDougall and Kilpatrick, 1965, 2
McDougall, L.A.; Kilpatrick, J.E., Entropy and related thermodynamic properties of n-valeric acid, J. Chem. Phys., 1965, 42, 2307-2310. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Watanabe, Yokoyama, et al., 1973
Watanabe, I.; Yokoyama, Y.; Ikeda, S., Lone pair ionization potentials of carboxylic acids determined by He(I) photoelectron spectroscopy, Bull. Chem. Soc. Jpn., 1973, 46, 1959. [all data]

Audier, Milliet, et al., 1985
Audier, H.; Milliet, A.; Sozzi, G., Isomerisation des cation radicaux acides pentanoique et methyl-3-butanoique in phase gazeuse, Bull. Soc. Chim. France, 1985, 5, 833. [all data]

Holmes and Lossing, 1980
Holmes, J.L.; Lossing, F.P., Thermochemistry and unimolecular reactions of ionized acetic acid and its enol in the gas phase., J. Am. Chem. Soc., 1980, 102, 3732. [all data]

Holmes and Lossing, 1980, 2
Holmes, J.L.; Lossing, F.P., Gas-phase heats of formation of keto and enol ions of carbonyl compounds., J. Am. Chem. Soc., 1980, 102, 1591. [all data]

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]

McLuckey, Cameron, et al., 1981
McLuckey, S.A.; Cameron, D.; Cooks, R.G., Proton affinities from the dissociation of proton bound dimers, J. Am. Chem. Soc., 1981, 103, 1313. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, References