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1-Pentanol

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Gas phase thermochemistry data

Go To: Top, Condensed 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:
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-298. ± 6.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
gas401.3J/mol*KN/ACounsell J.F., 1968GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
167.91403.49Stromsoe E., 1970Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1*(a+bT). This expression approximates the experimental values with the average deviation of 1.42 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Please also see Counsell J.F., 1970.; GT
177.7 ± 1.4418.95
178.2 ± 1.4420.75
174.58423.32
179.7 ± 1.4426.15
181.7 ± 1.4433.45
179.33438.26
184.4 ± 1.4442.85
184.8 ± 1.4444.35
184.35453.45
192.9 ± 1.4472.85
190.44473.19
195.5 ± 1.4482.25
209.3 ± 1.4531.25
215.8 ± 1.4554.15
221.4 ± 1.4573.95

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-351.62 ± 0.28kJ/molCcbMosselman and Dekker, 1975ALS
Deltafliquid-352.6 ± 0.7kJ/molCcbHayes, 1971DRB
Deltafliquid-352.57 ± 0.72kJ/molCcbGundry, Harrop, et al., 1969ALS
Deltafliquid-357.9 ± 0.50kJ/molCcbChao and Rossini, 1965see Rossini, 1934; ALS
Deltafliquid-358.4 ± 1.7kJ/molCcbGreen, 1960ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3330.91 ± 0.28kJ/molCcbMosselman and Dekker, 1975Corresponding «DELTA»fliquid = -351.62 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3329.9 ± 0.67kJ/molCcbHayes, 1971Corresponding «DELTA»fliquid = -352.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3329.96 ± 0.64kJ/molCcbGundry, Harrop, et al., 1969Corresponding «DELTA»fliquid = -352.57 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3324.6 ± 0.4kJ/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding «DELTA»fliquid = -357.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3324.kJ/molCcbVerkade and Coops, 1927Corrected for 298 and 1 atm.; Corresponding «DELTA»fliquid = -358. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid258.9J/mol*KN/ACounsell, Lees, et al., 1968DH
liquid254.8J/mol*KN/AParks, Huffman, et al., 1933Extrapolation below 90 K, 57.66 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
207.45298.15Benson and D'Arcy, 1986DH
207.45298.15Benson and D'Arcy, 1986, 2DH
208.19298.15Tanaka, Toyama, et al., 1986DH
208.98298.15Zegers and Somsen, 1984DH
207.4298.15D'Aprano, DeLisi, et al., 1983Data given at 288 and 298 K.; DH
205.6293.15Arutyunyan, Bagdasaryan, et al., 1981T = 293 to 393 K. p = 0.1 MPa. Unsmoothed experimental datum given as 2.332 kJ/kg*K. Cp given from 293.15 to 533.15 K for pressure range 10 to 60 MPa.; DH
212.3301.26Griigo'ev, Yanin, et al., 1979T = 301 to 463 K. p = 0.98 bar.; DH
208.40298.15Skold, Suurkuusk, et al., 1976DH
240.6313.2Paz Andrade, Paz, et al., 1970DH
208.3298.15Counsell, Lees, et al., 1968T = 10 to 390 K.; DH
201.7302.4Phillip, 1939DH
209.12298.0Parks, Huffman, et al., 1933T = 94 to 298 K. Value is unsmoothed experimental datum.; DH
183.3298.von Reis, 1881T = 298 to 400 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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 = 1-Pentanol

By formula: C5H11O- + H+ = C5H12O

Quantity Value Units Method Reference Comment
Deltar1565. ± 8.8kJ/molG+TSHiggins and Bartmess, 1998gas phase; B
Deltar1568. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar1564. ± 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
Deltar1538. ± 8.4kJ/molIMREHiggins and Bartmess, 1998gas phase; B
Deltar1541. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar1537. ± 11.kJ/molCIDCBoand, Houriet, et al., 1983gas phase; value altered from reference due to change in acidity scale; B

C3H9Si+ + 1-Pentanol = (C3H9Si+ bullet 1-Pentanol)

By formula: C3H9Si+ + C5H12O = (C3H9Si+ bullet C5H12O)

Quantity Value Units Method Reference Comment
Deltar187.kJ/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar131.J/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
126.468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

(C5H13O+ bullet 41-Pentanol) + 1-Pentanol = (C5H13O+ bullet 51-Pentanol)

By formula: (C5H13O+ bullet 4C5H12O) + C5H12O = (C5H13O+ bullet 5C5H12O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar46.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
21.227.PHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

(C5H13O+ bullet 1-Pentanol) + 1-Pentanol = (C5H13O+ bullet 21-Pentanol)

By formula: (C5H13O+ bullet C5H12O) + C5H12O = (C5H13O+ bullet 2C5H12O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar92.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar130.J/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
43.9346.PHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

(C5H13O+ bullet 21-Pentanol) + 1-Pentanol = (C5H13O+ bullet 31-Pentanol)

By formula: (C5H13O+ bullet 2C5H12O) + C5H12O = (C5H13O+ bullet 3C5H12O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar58.6kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar102.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

(C5H13O+ bullet 31-Pentanol) + 1-Pentanol = (C5H13O+ bullet 41-Pentanol)

By formula: (C5H13O+ bullet 3C5H12O) + C5H12O = (C5H13O+ bullet 4C5H12O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar49.8kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar102.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

1-Pentanol = Pentanal + Hydrogen

By formula: C5H12O = C5H10O + H2

Quantity Value Units Method Reference Comment
Deltar66.2 ± 1.6kJ/molEqkConnett, 1970liquid phase; ALS

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.

Counsell J.F., 1968
Counsell J.F., Thermodynamic properties of organic oxygen compounds. Part XIX. Low-temperature heat capacity and entropy of propan-1-ol, 2-methylpropan-1-ol, and pentan-1-ol, J. Chem. Soc. A, 1968, 1819-1823. [all data]

Stromsoe E., 1970
Stromsoe E., Heat capacity of alcohol vapors at atmospheric pressure, J. Chem. Eng. Data, 1970, 15, 286-290. [all data]

Counsell J.F., 1970
Counsell J.F., Thermodynamic properties of organic oxygen compounds. 24. Vapor heat capacities and enthalpies of vaporization of ethanol, 2-methyl-1-propanol, and 1-pentanol, J. Chem. Thermodyn., 1970, 2, 367-372. [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]

Gundry, Harrop, et al., 1969
Gundry, H.A.; Harrop, D.; Head, A.J.; Lewis, G.B., Thermodynamic properties of organic oxygen compounds. 21. Enthalpies of combustion of benzoic acid, pentan-1-ol, octan-1-ol, and hexadecan-1-ol, J. Chem. Thermodyn., 1969, 1, 321-332. [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]

Counsell, Lees, et al., 1968
Counsell, J.F.; Lees, E.B.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part XIX. Low temperature heat capacity and entropy of propan-1-ol, 2-methyl-propan-1-ol, and pentan-1-ol, 1968, J. [all data]

Parks, Huffman, et al., 1933
Parks, G.S.; Huffman, H.M.; Barmore, M., Thermal data on organic compounds. XI. The heat capacities, entropies and free energies of ten compounds containing oxygen or nitrogen. J. Am. Chem. Soc., 1933, 55, 2733-2740. [all data]

Benson and D'Arcy, 1986
Benson, G.C.; D'Arcy, P.J., Excess isobaric heat capacities of some binary mixtures: (a C5-alkanol + n-heptane) at 298.15 K, J. Chem. Thermodynam., 1986, 18, 493-498. [all data]

Benson and D'Arcy, 1986, 2
Benson, G.C.; D'Arcy, P.J., Heat capacities of binary mixtures of n-dodecane with hexane isomers, Thermochim. Acta, 1986, 102, 75-81. [all data]

Tanaka, Toyama, et al., 1986
Tanaka, R.; Toyama, S.; Murakami, S., Heat capacities of {xCnH2n+1OH+(1-x)C7H16} for n = 1 to 6 at 298.15 K, J. Chem. Thermodynam., 1986, 18, 63-73. [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]

D'Aprano, DeLisi, et al., 1983
D'Aprano, A.; DeLisi, R.; Donato, D.I., Thermodynamics of binary mixtures: volumes, heat capacities, and dilution enthalpies for the n-pentanol + 2-methyl-2-butanol system, J. Solution Chem., 1983, 12, 383-400. [all data]

Arutyunyan, Bagdasaryan, et al., 1981
Arutyunyan, G.S.; Bagdasaryan, S.S.; Kerimov, A.M., Experimental investigation of the isobaric heat capacity of n-propyl, n-butyl and n-amyl alcohols at different temperatures and pressures, Izv. Akad. Nauk Azerb. SSr, 1981, (6), 94-97. [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]

Skold, Suurkuusk, et al., 1976
Skold, R.; Suurkuusk, J.; Wadso, I., Thermochemistry of solutions of biochemical model compounds. 7. Aqueous solutions of some amides, t-butanol, and pentanol, J. Chem. Thermodynam., 1976, 8, 1075-1080. [all data]

Paz Andrade, Paz, et al., 1970
Paz Andrade, M.I.; Paz, J.M.; Recacho, E., Contribucion a la microcalorimetria de los calores especificos de solidos y liquidos, An. Quim., 1970, 66, 961-967. [all data]

Phillip, 1939
Phillip, N.M., Adiabatic and isothermal compressibilities of liquids, Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [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]

Wojtyniak and Stone, 1986
Wojtyniak, A.C.M.; Stone, A.J., A High-Pressure Mass Spectrometric Study of the Bonding of Trimethylsilylium to Oxygen and Aromatic Bases, Can. J. Chem., 1986, 74, 59. [all data]

Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M., Intermolecular Forces in Organic Clusters, J. Am. Chem. Soc., 1992, 114, 9, 3312, https://doi.org/10.1021/ja00035a024 . [all data]

Connett, 1970
Connett, J.E., Chemical equilibria. Part III. Dehydrogenation of pentan-1-ol, pentan-2-ol, and 3-methylbutan-2-ol, J. Chem. Soc. A, 1970, 1284-1286. [all data]


Notes

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