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Furan, 2-methyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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

Data compiled by: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.75750.Thermodynamics Research Center, 1997p=1 bar. Selected entropy and heat capacity at 298.15 K are in close agreement with statistical values calculated by [ Green J.H.S., 1977].
10.90100.
12.94150.
15.36200.
19.78273.15
21.43298.15
21.55300.
28.021400.
33.642500.
38.255600.
42.024700.
45.148800.
47.770900.
49.9881000.
51.8791100.
53.4971200.
54.8881300.
56.0901400.
57.1301500.

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 by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid51.121cal/mol*KN/ACarlson and Westrum, 1965 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
34.350298.15Carlson and Westrum, 1965T = 5 to 310 K.

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil337. ± 1.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple181.9KN/ACarlson and Westrum, 1965, 2Uncertainty assigned by TRC = 0.1 K; TRC
Ttriple181.90KN/ACarlson, 1962Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc528.KN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Pc46.58atmN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 1.020 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.247l/molN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.005 l/mol; TRC
Quantity Value Units Method Reference Comment
Deltavap7.70kcal/molN/AMoiseev and Antonova, 1970Based on data from 215. - 360. K.; AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.74304.N/ALoras, Aucejo, et al., 2002Based on data from 289. - 337. K.; AC
8.22266.AStephenson and Malanowski, 1987Based on data from 251. - 338. K.; AC
7.53324.N/AKrevor and Prausnitz, 1986Based on data from 309. - 339. K.; AC
7.77295.N/ADykyj, 1972Based on data from 288. - 303. K.; AC
7.39348.N/AEon, Pommier, et al., 1971Based on data from 333. - 373. K. See also Boublik, Fried, et al., 1984.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
333.4 - 373.54.809571643.0823.234Eon, Pommier, et al., 1971Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.044181.90Carlson and Westrum, 1965DH
2.04181.9Carlson and Westrum, 1965AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
11.24181.90Carlson and Westrum, 1965DH

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

C5H5O- + Hydrogen cation = Furan, 2-methyl-

By formula: C5H5O- + H+ = C5H6O

Quantity Value Units Method Reference Comment
Deltar383.8 ± 3.1kcal/molG+TSDePuy, Kass, et al., 1988gas phase; Anion of 2-methylfuran. Order: H2O<furan<2-Me-furan<MeOH.; B
Quantity Value Units Method Reference Comment
Deltar377.0 ± 3.0kcal/molIMRBDePuy, Kass, et al., 1988gas phase; Anion of 2-methylfuran. Order: H2O<furan<2-Me-furan<MeOH.; B

Maleic anhydride + Furan, 2-methyl- = 7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride, 1-methyl-, exo

By formula: C4H2O3 + C5H6O = C9H8O4

Quantity Value Units Method Reference Comment
Deltar-14.0kcal/molCmBalbi, 1991liquid phase; solvent: Dioxane; ALS
Deltar-14.kcal/molCmSparks and Poling, 1983solid phase; solvent: Dioxane; ALS

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)8.38 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)207.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity199.2kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.38PEVeszpremi, Nyulaszi, et al., 1987LBLHLM
8.57EISpilker and Grutzmacher, 1986LBLHLM
8.38PEKobayashi, Kubota, et al., 1982LBLHLM
8.39 ± 0.01EQLias and Ausloos, 1978LLK
8.39 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
8.31 ± 0.09EIVarsel, Morrell, et al., 1960RDSH
8.37PEZykov, Erchak, et al., 1983Vertical value; LBLHLM
8.54PEColonna, Distefano, et al., 1979Vertical value; LLK
8.37 ± 0.05PEFringuelli, Marino, et al., 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H5O+10.65HEISpilker and Grutzmacher, 1986LBLHLM

De-protonation reactions

C5H5O- + Hydrogen cation = Furan, 2-methyl-

By formula: C5H5O- + H+ = C5H6O

Quantity Value Units Method Reference Comment
Deltar383.8 ± 3.1kcal/molG+TSDePuy, Kass, et al., 1988gas phase; Anion of 2-methylfuran. Order: H2O<furan<2-Me-furan<MeOH.; B
Quantity Value Units Method Reference Comment
Deltar377.0 ± 3.0kcal/molIMRBDePuy, Kass, et al., 1988gas phase; Anion of 2-methylfuran. Order: H2O<furan<2-Me-furan<MeOH.; B

IR Spectrum

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, References, Notes

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

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW- 692
NIST MS number 229471

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Rice, 1952
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 3384
Instrument n.i.g.
Melting point -87.5
Boiling point 65

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Green J.H.S., 1977
Green J.H.S., Spectroscopic and thermodynamic properties of furan derivatives. I. 2- and 2,5-substituted compounds, Spectrochim. Acta, 1977, A33, 843-848. [all data]

Carlson and Westrum, 1965
Carlson, H.G.; Westrum, E.F., Jr., 2-Methylfuran. Heat capacity and thermodynamic properties from 5 to 310 K, J. Chem. Eng. Data, 1965, 10, 134-135. [all data]

Carlson and Westrum, 1965, 2
Carlson, H.G.; Westrum, E.F., Jr., 2-Methylfuran-Heat Capacity and Thermodynamic Properties from 5°to 310° K., J. Chem. Eng. Data, 1965, 10, 2, 134, https://doi.org/10.1021/je60025a018 . [all data]

Carlson, 1962
Carlson, , Ph.D. Thesis, Univ. Mich., Ann Arbor, MI, 1962. [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]

Loras, Aucejo, et al., 2002
Loras, Sonia; Aucejo, Antonio; Montón, Juan B.; Wisniak, Jaime; Segura, Hugo, Phase Equilibria for 1,1,1,2,3,4,4,5,5,5-Decafluoropentane + 2-Methylfuran, 2-Methylfuran + Oxolane, and 1,1,1,2,3,4,4,5,5,5- Decafluoropentane + 2-Methylfuran + Oxolane at 35 kPa, J. Chem. Eng. Data, 2002, 47, 5, 1256-1262, https://doi.org/10.1021/je0255325 . [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]

Krevor and Prausnitz, 1986
Krevor, David H.; Prausnitz, John M., Vapor-liquid equilibria for model mixtures of coal-derived liquids. 1. Binary systems with 2-methylfuran, J. Chem. Eng. Data, 1986, 31, 3, 349-353, https://doi.org/10.1021/je00045a027 . [all data]

Dykyj, 1972
Dykyj, J., Petrochemia, 1972, 12, 1, 13. [all data]

Eon, Pommier, et al., 1971
Eon, C.; Pommier, C.; Guiochon, G., Vapor pressures and second virial coefficients of some five-membered heterocyclic derivatives, J. Chem. Eng. Data, 1971, 16, 4, 408-410, https://doi.org/10.1021/je60051a008 . [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]

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]

Balbi, 1991
Balbi, N., Dynamic calorimetry in the study of Diels-Alder reaction, Calorim. Anal. Therm., 1991, 22, 299-304. [all data]

Sparks and Poling, 1983
Sparks, B.G.; Poling, B.E., Energy storage capacity of reversible liquid-phase Diels Alder reaction between maleic anhydride and 2-methyl furan, Am. Inst. Chem. Eng. Symp. Ser. (AIChE Symp. Ser.), 1983, 29, 534-537. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Veszpremi, Nyulaszi, et al., 1987
Veszpremi, T.; Nyulaszi, L.; Nagy, J., Ultraviolet photoelectron spectroscopy and quantum-mechanical study of alkyl- and trimethylsilyl-furanes, J. Organomet. Chem., 1987, 331, 175. [all data]

Spilker and Grutzmacher, 1986
Spilker, R.; Grutzmacher, H.-F., Isomerization and fragmentation of methylfuran ions and pyran ions in the gas phase, Org. Mass Spectrom., 1986, 21, 459. [all data]

Kobayashi, Kubota, et al., 1982
Kobayashi, T.; Kubota, T.; Ezumi, K.; Utsunomiya, C., Photoelectron angular distribution study of some isoxazoles combined with perturbation theoretic approach, Bull. Chem. Soc. Jpn., 1982, 55, 3915. [all data]

Lias and Ausloos, 1978
Lias, S.G.; Ausloos, P.J., eIonization energies of organic compounds by equilibrium measurements, J. Am. Chem. Soc., 1978, 100, 6027. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Varsel, Morrell, et al., 1960
Varsel, C.J.; Morrell, F.A.; Resnik, F.E.; Powell, W.A., Qualitative and quantitative analysis of organic compounds. Use of low-voltage mass spectrometry, Anal. Chem., 1960, 32, 182. [all data]

Zykov, Erchak, et al., 1983
Zykov, B.G.; Erchak, N.P.; Khvostenko, V.I.; Lukevits, E.; Matorykina, V.F.; Asfandiarov, N.L., Photoelectron spectra of furylsilanes and their carbon analogs, J. Organomet. Chem., 1983, 253, 301. [all data]

Colonna, Distefano, et al., 1979
Colonna, F.P.; Distefano, G.; Guerra, M.; Jones, D.; Modelli, A., Furyl- and thienyl-mercury derivatives studied by means of ultraviolet photoelectron spectroscopy. Evidence for the participation in bonding of the vacant 6p «pi» orbitals of mercury in bis-2-furyl-bis-2-thienylmercury, J. Chem. Soc. Dalton Trans., 1979, 2037. [all data]

Fringuelli, Marino, et al., 1976
Fringuelli, F.; Marino, G.; Taticchi, A.; Distefano, G.; Colonna, F.P.; Pignataro, S., Photoelectron spectra of the «alpha»-substituted derivatives of furan, thiophen, selenophen, and tellurophen. A comparative study of the molecular orbital energies, J. Chem. Soc. Perkin Trans. 2, 1976, 276. [all data]

Rice, 1952
Rice, H.L., The structure of methylenedihydrofuran, J. Am. Chem. Soc., 1952, 74, 3193-3194. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References