Furan

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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-27.7kJ/molN/AZaheeruddin and Lodhi, 1991Value computed using ΔfHliquid° value of -55.4 kj/mol from Zaheeruddin and Lodhi, 1991 and ΔvapH° value of 27.6 kj/mol from Guthrie, Scott, et al., 1952.; DRB
Δfgas-34.7kJ/molCcbGuthrie, Scott, et al., 1952ALS
Δfgas-29.8kJ/molN/ALandrieu, Baylocq, et al., 1929Value computed using ΔfHliquid° value of -57.5 kj/mol from Landrieu, Baylocq, et al., 1929 and ΔvapH° value of 27.6 kj/mol from Guthrie, Scott, et al., 1952.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
33.2650.Dorofeeva O.V., 1992p=1 bar. Selected entropies and heat capacities are in good agreement with those obtained in other statistical calculations [ Guthrie G.B., 1952, Bak B., 1955, Rico M., 1967, Soptrajanov B., 1968, Chao J., 1986, Klots T.D., 1994].; GT
33.53100.
36.39150.
43.60200.
59.43273.15
65.4 ± 1.5298.15
65.85300.
88.80400.
107.82500.
122.77600.
134.59700.
144.13800.
152.00900.
158.601000.
164.201100.
168.971200.
173.081300.
176.621400.
179.691500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
70.29317.25Guthrie G.B., 1952GT
80.12358.20
90.00402.20
99.58449.20
106.48487.20

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  CcbZaheeruddin and Lodhi, 1991uncertain value: -55.36 kJ/mol; ALS
Δfliquid-62.34kJ/molCcbGuthrie, Scott, et al., 1952ALS
Δfliquid-57.45kJ/molCcbLandrieu, Baylocq, et al., 1929ALS
Quantity Value Units Method Reference Comment
Δcliquid  CcbZaheeruddin and Lodhi, 1991uncertain value: -2090.36 kJ/mol; ALS
Δcliquid-2083.5kJ/molCcbGuthrie, Scott, et al., 1952Corresponding Δfliquid = -62.17 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-2088.kJ/molCcbLandrieu, Baylocq, et al., 1929Corresponding Δfliquid = -57.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid176.65J/mol*KN/AGuthrie, Scott, et al., 1952, 2DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
114.56298.15Guthrie, Scott, et al., 1952, 2T = 11 to 300 K.; DH

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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil304.7 ± 0.6KAVGN/AAverage of 12 out of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus187.44KN/AGuanquan, Ott, et al., 1986Uncertainty assigned by TRC = 0.2 K; TRC
Tfus187.56KN/AGoates, Ott, et al., 1973Uncertainty assigned by TRC = 0.05 K; TRC
Tfus187.15KN/ABrooks and Pilcher, 1959Uncertainty assigned by TRC = 1. K; TRC
Tfus187.47KN/ABoord, Greenlee, et al., 1946Uncertainty assigned by TRC = 0.2 K; TRC
Tfus187.55KN/ADolliver, Gresham, et al., 1938Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Ttriple187.54KN/AWilhoit, Chao, et al., 1985Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple187.55KN/AGuthrie, Scott, et al., 1952, 3Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc490.2KN/AMajer and Svoboda, 1985 
Tc490.2KN/ACheng, McCoubrey, et al., 1962Uncertainty assigned by TRC = 0.3 K; Visual (5-cm 2-mm bore tubes) in nitrate-nitrite bath, TE or TH cal. vs NPL thermometer.; TRC
Tc487.KN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Pc53.20barN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 1.172 bar; TRC
Quantity Value Units Method Reference Comment
Vc0.219l/molN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.005 l/mol; TRC
Quantity Value Units Method Reference Comment
Δvap27.71kJ/molN/AMajer and Svoboda, 1985 
Δvap28.2kJ/molN/AMoiseev and Antonova, 1970Based on data from 277. to 323. K.; AC
Δvap27.6kJ/molN/AGuthrie, Scott, et al., 1952DRB

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
305.21.01Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
27.1304.5N/AMajer and Svoboda, 1985 
27.451298.15N/AGuthrie, Scott, et al., 1952, 2P = 79.934 kPa; DH
30.2253.AStephenson and Malanowski, 1987Based on data from 238. to 356. K.; AC
27.7304.36EGuthrie, Scott, et al., 1952ALS
28.6290.N/AGuthrie, Scott, et al., 1952, 2Based on data from 275. to 334. K. See also Boublik, Fried, et al., 1984.; AC
27.2304.2VMathews and Fehlandt, 1931ALS

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) β Tc (K) Reference Comment
279. to 305.42.320.2802490.2Majer and Svoboda, 1985 

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
92.07298.15Guthrie, Scott, et al., 1952, 2P; DH

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
275.70 to 334.584.100031060.801-45.416Guthrie, Scott, et al., 1952, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
3.8187.6Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
13.64150.0Domalski and Hearing, 1996CAL
20.29187.6

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.0468150.0crystaline, IIcrystaline, IGuthrie, Scott, et al., 1952, 2DH
3.8024187.55crystaline, IliquidGuthrie, Scott, et al., 1952, 2DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
13.65150.0crystaline, IIcrystaline, IGuthrie, Scott, et al., 1952, 2DH
20.27187.55crystaline, IliquidGuthrie, Scott, et al., 1952, 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:


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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

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

C4H5O+ + Furan = (C4H5O+ • Furan)

By formula: C4H5O+ + C4H4O = (C4H5O+ • C4H4O)

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

Quantity Value Units Method Reference Comment
Δr42.kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; ΔrH<; M
Δr79.kJ/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.382.PHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

C4H3O- + Hydrogen cation = Furan

By formula: C4H3O- + H+ = C4H4O

Quantity Value Units Method Reference Comment
Δr1636.2 ± 1.5kJ/molG+TSGrabowski and Owusugas phase; B
Δr1624. ± 13.kJ/molG+TSDePuy, Kass, et al., 1988gas phase; Order:H2O < furan < 2-Me-furan < MeOH. D exchange indicates anion at C-2.; B
Quantity Value Units Method Reference Comment
Δr1602.1 ± 0.84kJ/molIMREGrabowski and Owusugas phase; B
Δr1590. ± 13.kJ/molIMRBDePuy, Kass, et al., 1988gas phase; Order:H2O < furan < 2-Me-furan < MeOH. D exchange indicates anion at C-2.; B

Furan + 2Hydrogen = Tetrahydrofuran

By formula: C4H4O + 2H2 = C4H8O

Quantity Value Units Method Reference Comment
Δr-151.1 ± 0.50kJ/molChydDolliver, Gresham, et al., 1938, 2gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -153.3 ± 0.50 kJ/mol; At 355 °K; ALS

C4H4O+ + Furan = (C4H4O+ • Furan)

By formula: C4H4O+ + C4H4O = (C4H4O+ • C4H4O)

Quantity Value Units Method Reference Comment
Δr72.0kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr99.2J/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(C4H4O+ • Furan) + Furan = (C4H4O+ • 2Furan)

By formula: (C4H4O+ • C4H4O) + C4H4O = (C4H4O+ • 2C4H4O)

Quantity Value Units Method Reference Comment
Δr30.kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; ΔrH<; M

Sodium ion (1+) + Furan = (Sodium ion (1+) • Furan)

By formula: Na+ + C4H4O = (Na+ • C4H4O)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
49.0298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

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 Comment
0.18 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.

References

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

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

Zaheeruddin and Lodhi, 1991
Zaheeruddin, M.; Lodhi, Z.H., Enthalpies of formation of some cyclic compounds, Phys. Chem. (Peshawar Pak.), 1991, 10, 111-118. [all data]

Guthrie, Scott, et al., 1952
Guthrie, G.B., Jr.; Scott, D.W.; Hubbard, W.N.; Katz, C.; McCullough, J.P.; Gross, M.E.; Williamson, K.D.; Waddington, G., Thermodynamic properties of furan, J. Am. Chem. Soc., 1952, 74, 4662-46. [all data]

Landrieu, Baylocq, et al., 1929
Landrieu, P.; Baylocq, F.; Johnson, J.R., Etude thermochimique dans la serie furanique, Bull. Soc. Chim. France, 1929, 45, 36-49. [all data]

Dorofeeva O.V., 1992
Dorofeeva O.V., Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 1. Three-membered, four-membered and five-membered rings, Thermochim. Acta, 1992, 194, 9-46. [all data]

Guthrie G.B., 1952
Guthrie G.B., Jr., Thermodynamic properties of furan, J. Am. Chem. Soc., 1952, 74, 4662-4669. [all data]

Bak B., 1955
Bak B., Infrared absorption spectra of alpha and beta monodeutero, and alpha, alpha' dideutero furan vapors. Heat capacity and entropy of furan, Acta Chem. Scand., 1955, 9, 749-762. [all data]

Rico M., 1967
Rico M., Fundamental vibrations of furan and deuterated derivatives, J. Mol. Spectrosc., 1967, 24, 133-148. [all data]

Soptrajanov B., 1968
Soptrajanov B., Thermodynamic functions of furan and deuterated furans, Croat. Chem. Acta, 1968, 40, 241-245. [all data]

Chao J., 1986
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

Klots T.D., 1994
Klots T.D., Complete vapor phase assignment for the fundamental vibrations of furan, pyrrole and thiophene, Spectrochim. Acta, 1994, A50, 765-795. [all data]

Guthrie, Scott, et al., 1952, 2
Guthrie, G.B., Jr.; Scott, D.W.; Hubbard, W.N.; Katz, C.; McCullough, J.P.; Gross, M.E.; Williamson, K.D.; Waddington, G., Thermodynamic properties of furan, J. Am. Chem. Soc., 1952, 74, 4662-4669. [all data]

Guanquan, Ott, et al., 1986
Guanquan, C.; Ott, J.B.; Goates, J.R., (Solid + liquid) Phase Equilibria and Solid-Compound Formation in Tetrachloromethane + furan, + Pyridine, and + N-methylpyrrole, J. Chem. Thermodyn., 1986, 18, 603. [all data]

Goates, Ott, et al., 1973
Goates, J.R.; Ott, J.B.; Reeder, J., Solid + liquid phae equilibria and solid compound formation in hexafluorobenzene + benzene, + pyridine, + furan, and + thiophen, J. Chem. Thermodyn., 1973, 5, 135. [all data]

Brooks and Pilcher, 1959
Brooks, J.H.; Pilcher, G., A Simple Melting Point Calorimeter for Moderately Precise Determination of Purity, J. Chem. Soc., 1959, 1959, 1535. [all data]

Boord, Greenlee, et al., 1946
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L., The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Weight, Am. Pet. Inst. Res. Proj. 45, Eighth Annu. Rep., Ohio State Univ., June 30, 1946. [all data]

Dolliver, Gresham, et al., 1938
Dolliver, M.A.; Gresham, T.L.; Kistiakowsky, G.B.; Smith, E.A.; Vaughan, W.E., Heats of Organic Reactions VI. Heats of Hydrogenation of Some Oxygen- Containing Compounds, J. Am. Chem. Soc., 1938, 60, 440. [all data]

Wilhoit, Chao, et al., 1985
Wilhoit, R.C.; Chao, J.; Hall, K.R., Thermodynamic Properties of Key Organic Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases, J. Phys. Chem. Ref. Data, 1985, 14, 1. [all data]

Guthrie, Scott, et al., 1952, 3
Guthrie, G.B.; Scott, D.W.; Hubbard, W.N.; Katz, C.; McCullough, J.P.; Gross, M.E.; Williamson, K.D.; Waddington, G., Thermodynamic properties of Furan, J. Am. Chem. Soc., 1952, 74, 4662-9. [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]

Cheng, McCoubrey, et al., 1962
Cheng, D.C.H.; McCoubrey, J.C.; Phillips, D.G., Critical Temperatures of Some Organic Cyclic Compounds, Trans. Faraday Soc., 1962, 58, 224. [all data]

Kobe, Ravicz, et al., 1956
Kobe, K.A.; Ravicz, A.E.; Vohra, S.P., Critical Properties and Vapor Pressures of Some Ethers and Heterocyclic Compounds, J. Chem. Eng. Data, 1956, 1, 50. [all data]

Moiseev and Antonova, 1970
Moiseev, V.D.; Antonova, N.D., Zh. Fiz. Khim., 1970, 44, 11, 2912. [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]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Mathews and Fehlandt, 1931
Mathews, J.H.; Fehlandt, P.R., The heats of vaporization of some organic compounds, J. Am. Chem. Soc., 1931, 53, 3212-32. [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]

Hiraoka, Takimoto, et al., 1987
Hiraoka, K.; Takimoto, H.; Yamabe, S., Stabilities and Structures in Cluster Ions of Five-Membered Heterocyclic Compounds Containing O, N and S Atoms, J. Am. Chem. Soc., 1987, 109, 24, 7346, https://doi.org/10.1021/ja00258a018 . [all data]

Meot-Ner (Mautner), Ross, et al., 1985
Meot-Ner (Mautner), M.; Ross, M.M.; Campana, J.E., Stable Hydrogen - Bonded Isomers of Covalent Ions, J. Am. Chem. Soc., 1985, 107, 4835. [all data]

Grabowski and Owusu
Grabowski, J.J.; Owusu, D., , as cited in 98CLI/WEN. [all data]

DePuy, Kass, et al., 1988
DePuy, C.H.; Kass, S.R.; Bean, G.P., Formation and Reactions of Heteroaromatic Anions in the Gas Phase, J. Org. Chem., 1988, 53, 19, 4427, https://doi.org/10.1021/jo00254a001 . [all data]

Dolliver, Gresham, et al., 1938, 2
Dolliver, M.A.; Gresham, T.L.; Kistiakowsky, G.B.; Smith, E.A.; Vaughan, W.E., Heats of organic reactions. VI. Heats of hydrogenation of some oxygen-containing compounds, J. Am. Chem. Soc., 1938, 60, 440-450. [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]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]


Notes

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