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Butyrolactone

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

Quantity Value Units Method Reference Comment
Deltafgas-364. ± 3.kJ/molCmWiberg and Waldron, 1991Heat of reduction; ALS
Deltafgas-366.5 ± 0.8kJ/molCcbLeitao, Pilcher, et al., 1990See Brown, Conn, et al., 1989; ALS
Deltafgas-365.61 ± 0.44kJ/molCcbSteele, Chirico, et al., 1989ALS
Deltafgas-377.7kJ/molN/AIsmailov, Gabzalilova, et al., 1988Value computed using «DELTA»fHliquid° value of -431.2±2.7 kj/mol from Ismailov, Gabzalilova, et al., 1988 and «DELTA»vapH° value of 53.5 kj/mol from Steele, Chirico, et al., 1989.; DRB
Deltafgas-368.5kJ/molN/AYevstropov, Lebedev, et al., 1980Value computed using «DELTA»fHliquid° value of -422.0±1.1 kj/mol from Yevstropov, Lebedev, et al., 1980 and «DELTA»vapH° value of 53.5 kj/mol from Steele, Chirico, et al., 1989.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
43.46100.Kudchadker S.A., 1975GT
50.99150.
60.82200.
79.20273.15
86.10298.15
86.62300.
114.24400.
138.77500.
159.18600.
176.01700.
189.98800.
201.69900.
211.551000.
219.911100.
227.021200.
233.101300.
238.331400.
242.821500.

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-419. ± 3.kJ/molCmWiberg and Waldron, 1991Heat of reduction; ALS
Deltafliquid-420.9 ± 0.7kJ/molCcbLeitao, Pilcher, et al., 1990See Brown, Conn, et al., 1989; ALS
Deltafliquid-419.07 ± 0.36kJ/molCcbSteele, Chirico, et al., 1989ALS
Deltafliquid-431.2 ± 2.7kJ/molCcbIsmailov, Gabzalilova, et al., 1988ALS
Deltafliquid-422.0 ± 1.1kJ/molCcbYevstropov, Lebedev, et al., 1980ALS
Quantity Value Units Method Reference Comment
Deltacliquid-2010.6 ± 0.5kJ/molCcbLeitao, Pilcher, et al., 1990See Brown, Conn, et al., 1989; Corresponding «DELTA»fliquid = -420.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2012.46 ± 0.28kJ/molCcbSteele, Chirico, et al., 1989Corresponding «DELTA»fliquid = -419.07 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2000.4 ± 6.4kJ/molCcbIsmailov, Gabzalilova, et al., 1988Corresponding «DELTA»fliquid = -431.14 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2009.2 ± 0.8kJ/molCcbYevstropov, Lebedev, et al., 1980Corresponding «DELTA»fliquid = -422.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid197.4J/mol*KN/ALebedev and Yevstropov, 1983DH
liquid197.5J/mol*KN/AYevstropov, Lebedev, et al., 1980, 2DH
liquid201.28J/mol*KN/AIsmailov, Gabzalilova, et al., 1988DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
140.5298.15Steele, Chirico, et al., 1989DH
140.9298.15Ismailov, Gabzalilova, et al., 1988T = 290 to 410 K. Cp(liq) = 101.0829 + 763.3375X10-4T + 1.918968x10-4T2 J/mol*K (290 to 410 K).; DH
141.3298.15Lebedev and Yevstropov, 1983T = 13.8 to 340 K.; DH
141.3298.15Yevstropov, Lebedev, et al., 1980, 2T = 5 to 330 K.; DH
141.4298.15Fuchs, 1979DH

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 by: 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

Butanoic acid, 4-hydroxy- = Water + Butyrolactone

By formula: C4H8O3 = H2O + C4H6O2

Quantity Value Units Method Reference Comment
Deltar4.5 ± 0.2kJ/molCmWiberg and Waldron, 1991liquid phase

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.

Wiberg and Waldron, 1991
Wiberg, K.B.; Waldron, R.F., Lactones. 2. Enthalpies of hydrolysis, reduction, and formation of the C4-C13 monocyclic lactones. strain energies and conformations, J. Am. Chem. Soc., 1991, 113, 7697-7705. [all data]

Leitao, Pilcher, et al., 1990
Leitao, M.L.P.; Pilcher, H.; Meng-Yan, Y.; Brown, J.M.; Conn, A.D., Enthalpies of combustion of «gamma»-butyrolactone, «gamma»-valerolactone, and «delta»-valerolactone, J. Chem. Thermodyn., 1990, 22, 885-891. [all data]

Brown, Conn, et al., 1989
Brown, J.M.; Conn, A.D.; Pilcher, G.; Leitao, M.L.P.; Yang, M.-Y., On the strain energy of 5-ring and 6-ring lactones, J. Chem. Soc., Chem. Commun., 1989, 1817-1819. [all data]

Steele, Chirico, et al., 1989
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Hossenlopp, I.A.; Smith, N.K., Determination of some pure compound ideal-gas enthalpies of formation, AIChE Symp. Ser., 1989, 85, 140-162. [all data]

Ismailov, Gabzalilova, et al., 1988
Ismailov, T.S.; Gabzalilova, N.R.; Makhkamoov, Kh.M., Complex study of physicochemical properties of «gamma»-butyrolactone, Uzb. Khim. Zh., 1988, 48-50. [all data]

Yevstropov, Lebedev, et al., 1980
Yevstropov, A.A.; Lebedev, B.V.; Kiparisova, Ye.G.; Alekseyev, V.A.; Stashina, G.A., Thermodynamic parameters of transformation of «gamma»-butyrolactone into poly-«gamma»-butyrolactone at normal pressure in the range of 0-400°K, Polym. Sci. USSR, 1980, 22, 2685-2692. [all data]

Kudchadker S.A., 1975
Kudchadker S.A., Thermodynamic properties of oxygen compounds. II. beta-Propiolactone, gamma-butyrolactone, and gamma-butyrolactam (2-pyrrolidone), Thermochim. Acta, 1975, 12, 11-17. [all data]

Lebedev and Yevstropov, 1983
Lebedev, B.V.; Yevstropov, A.A., Thermodynamics of «beta»-propiolactone, t-butyrolactone, d-valerolactone, and e-caprolactone from 13.8 to 340 K, J. Chem. Thermodynam., 1983, 15, 115-128. [all data]

Yevstropov, Lebedev, et al., 1980, 2
Yevstropov, A.A.; Lebedev, B.V.; Kiparisova, Ye.G.; Alekseyev, V.A.; Stashina, G.A., Thermodynamic parameters of transformation of t-butyrolactone into poly-t-butyrolactone at normal pressure in the range of 0 to 400 K, Vysokomol. Soedin, Ser., 1980, A 22(11), 2450-2456. [all data]

Fuchs, 1979
Fuchs, R., Heat capacities of some liquid aliphatic, alicyclic, and aromatic esters at 298.15 K, J. Chem. Thermodyn., 1979, 11, 959-961. [all data]


Notes

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