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Furan, 2,5-dimethyl-

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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 by: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
40.5950.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].
58.56100.
72.19150.
84.92200.
106.12273.15
113.95298.15
114.54300.
145.91400.
174.01500.
197.65600.
217.37700.
233.93800.
247.95900.
259.881000.
270.081100.
278.821200.
286.341300.
292.831400.
298.451500.

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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil367. ± 1.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap31.8 ± 0.3kJ/molGSVerevkin and Welle, 1998Based on data from 271. - 308. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
32.3 ± 0.3290.GSVerevkin and Welle, 1998Based on data from 271. - 308. K.; AC

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:


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

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C6H8O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)865.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity835.2kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
7.8PEVeszpremi, Nyulaszi, et al., 1987LBLHLM
8.25 ± 0.10EIGrutzmacher and Spilker, 1985LBLHLM
8.03PEVeszpremi, Nyulaszi, et al., 1987Vertical value; LBLHLM

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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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)

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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

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-IW-3414
NIST MS number 233792

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, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, 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 Shellum and Birks, 1987
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. 17164
Instrument unknown
Boiling point 93.5

Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySPB-1100.696.Misharina, Beletsky, et al., 199460. m/0.32 mm/0.25 «mu»m
CapillarySE-30100.695.Golovnya, Misharina, et al., 199260. m/0.25 mm/0.50 «mu»m, He
CapillaryOV-101100.697.Golovnya, Misharina, et al., 199260. m/0.25 mm/0.50 «mu»m, He

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-1695.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 «mu»m, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillaryDB-1697.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 «mu»m, 30. C @ 4. min, 2. K/min; Tend: 220. C

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 40M100.939.Golovnya, Misharina, et al., 199250. m/0.32 mm/0.25 «mu»m, He
PackedPEG-2000150.892.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.925.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.938.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000180.890.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000200.950.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax943.Shimoda and Shibamoto, 1990He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCP Sil 5 CB667.Pino, Marbot, et al., 200230. m/0.25 mm/0.25 «mu»m, H2, 60. C @ 10. min, 2. K/min, 280. C @ 40. min
CapillaryBPX-5701.Ames, Guy, et al., 200150. m/0.32 mm/0.5 «mu»m, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min
CapillaryBPX-5701.Ames, Guy, et al., 200150. m/0.32 mm/0.5 «mu»m, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min
CapillaryBPX-5718.Ames, Guy, et al., 2001, 250. m/0.32 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min
CapillaryDB-1696.Kim, 200160. m/0.32 mm/1. «mu»m, He, 40. C @ 5. min, 2. K/min; Tend: 220. C
CapillarySPB-1685.Misharina, Beletsky, et al., 199460. m/0.32 mm/0.25 «mu»m, 8. K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101697.Misharina, Golovnya, et al., 199350. m/0.32 mm/0.5 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101684.Golovnya, Misharina, et al., 199260. m/0.25 mm/0.50 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 200. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCP-Sil 8CB-MS708.Elmore, Mottram, et al., 200060. m/0.25 mm/0.25 «mu»m, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C
CapillaryBPX-5728.Elmore, Mottram, et al., 199950. m/0.32 mm/0.5 «mu»m, He; Program: 0C(5min) => 40C/min => 40C(2min) => 4C/min => 280C

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax930.Lopez-Galilea I., Fournier N., et al., 200630. m/0.32 mm/0.5 «mu»m, He, 5. K/min, 240. C @ 10. min; Tstart: 40. C
CapillaryDB-Wax958.Nielsen, Larsen, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryDB-Wax958.Nielsen, Larsen, et al., 2004, 230. m/0.25 mm/0.25 «mu»m, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryDB-Wax952.Nielsen and Poll, 200430. m/0.25 mm/0.25 «mu»m, He, 45. C @ 10. min, 3. K/min, 240. C @ 30. min
CapillaryDB-Wax958.Nielsen, Larsen, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryDB-Wax946.Kim, 200160. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min
CapillaryCarbowax 40M925.Golovnya, Misharina, et al., 199250. m/0.32 mm/0.25 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 200. C
CapillaryCP-WAX 57CB934.Baltes and Mevissen, 1988He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB945.Alasalvar, Shahidi, et al., 200360. m/0.25 mm/0.25 «mu»m, He; Program: 40C => 5C/min => 60C => 2.5C/min => 155C
CapillaryCarbowax931.Baltes w. and Bochmann G., 1987Column diameter: 0.3 mm; Program: not specified
CapillaryCarbowax933.Baltes w. and Bochmann G., 1987Column diameter: 0.3 mm; Program: not specified
CapillaryCarbowax933.Baltes w. and Bochmann G., 1987Column diameter: 0.3 mm; Program: not specified
CapillaryCarbowax933.Baltes w. and Bochmann G., 1987Column diameter: 0.3 mm; Program: not specified
CapillaryCarbowax934.Baltes w. and Bochmann G., 1987Column diameter: 0.3 mm; Program: not specified
CapillaryCarbowax938.Baltes w. and Bochmann G., 1987Column diameter: 0.3 mm; Program: not specified

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS706.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryDB-5693.Cais-Sokolinska, Majcher, et al., 201125. m/0.20 mm/0.33 «mu»m, Helium, 50. C @ 1. min, 20. K/min; Tend: 240. C
CapillaryZB-5706.Harrison and Priest, 200930. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min
CapillarySLB-5MS704.Risticevic, Carasek, et al., 200810. m/0.18 mm/0.18 «mu»m, Helium, 40. C @ 1.5 min, 10. K/min; Tend: 295. C
CapillaryHP-5711.Isidorov and Jdanova, 20023. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 200. C
CapillarySPB-5723.Pino, Marbot, et al., 2002, 230. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillarySPB-5707.Poligné, Collignan, et al., 200160. m/0.32 mm/1. «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 200. C
CapillaryOV-1700.Orav, Kailas, et al., 19992. K/min; Tstart: 50. C; Tend: 160. C
CapillaryDB-1715.Tai and Ho, 199860. m/0.32 mm/1.0 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 280. C
CapillaryDB-1700.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-5 MS712.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups727.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups728.Robinson, Adams, et al., 2012Program: not specified
CapillaryVF-5718.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min)
CapillaryVF-5695.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillarySLB-5MS703.Risticevic, Carasek, et al., 200810. m/0.18 mm/0.18 «mu»m, Helium; Program: not specified
CapillaryDB-5 MS708.Cajka, Hajslova, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min)
CapillaryDB-1694.Sung, Stone, et al., 2007Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: 120 0C (2 min( 5 0C/min -> 200 0C 10 0C/min -> 290 0C (5 min)
CapillarySE-30697.Vinogradov, 2004Program: not specified
CapillarySPB-5700.Begnaud, Pérès, et al., 200360. m/0.32 mm/1. «mu»m; Program: not specified
CapillaryMethyl phenyl siloxane (not specified)707.Poligne, Collignan, et al., 2002Program: not specified
CapillarySPB-1697.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryDB-1689.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 «mu»m; Program: not specified
CapillaryDB-1689.Ciccioli, Brancaleoni, et al., 199360. m/0.32 mm/0.25 «mu»m; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
CapillarySPB-1697.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1697.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: not specified
CapillaryOV-1697.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryFFAP909.Budryn, Nebesny, et al., 201130. m/0.32 mm/0.50 «mu»m, Nitrogen, 35. C @ 5. min, 4. K/min, 250. C @ 45. min
CapillaryDB-Wax943.Moon and Shibamoto, 201060. m/0.25 mm/0.50 «mu»m, Helium, 40. C @ 5. min, 2. K/min, 210. C @ 70. min
CapillaryZB-Wax972.Marin, Pozrl, et al., 200860. m/0.32 mm/0.50 «mu»m, Helium, 40. C @ 5. min, 4. K/min, 220. C @ 5. min
CapillaryTC-Wax957.Ishikawa, Ito, et al., 200460. m/0.25 mm/0.5 «mu»m, He, 40. C @ 8. min, 3. K/min; Tend: 230. C
CapillaryRTX-Wax952.Galindo-Cuspinera, Lubran, et al., 200260. m/0.25 mm/0.5 «mu»m, He, 40. C @ 5. min, 5. K/min, 180. C @ 20. min
CapillaryHP-Wax930.Sanz, Maeztu, et al., 200260. m/0.25 mm/0.5 «mu»m, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryHP-Wax930.Maeztu, Sanz, et al., 200160. m/0.25 mm/0.5 «mu»m, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryHP-Wax930.Sanz, Ansorena, et al., 200160. m/0.25 mm/0.5 «mu»m, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryDB-Wax949.Umano, Hagi, et al., 1995He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax 10951.Soria, Martinez-Castro, et al., 200850. m/0.25 mm/0.25 «mu»m, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)
CapillarySupelcowax 10951.Soria, Martinez-Castro, et al., 200850. m/0.25 mm/0.25 «mu»m, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)
CapillaryDB-Wax953.Gonzalez-Rios, Suarez-Quiroz, et al., 200730. m/0.25 mm/0.25 «mu»m, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C
CapillaryDB-Wax951.Gonzalez-Rios, Suarez-Quiroz, et al., 200730. m/0.25 mm/0.25 «mu»m, Hydrogen; Program: not specified
CapillaryHP-Innowax938.Narain, Galvao, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min)
CapillaryHP-Innowax939.Narain, Galvao, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min)
CapillaryHP-Innowax939.Narain, Galvao, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min)
CapillaryCarbowax 20M951.Vinogradov, 2004Program: not specified
CapillaryCarbowax 20M931.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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]

Verevkin and Welle, 1998
Verevkin, Sergey P.; Welle, Frank M., Structural Chemistry, 1998, 9, 3, 215-221, https://doi.org/10.1023/A:1022475115296 . [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]

Grutzmacher and Spilker, 1985
Grutzmacher, H.-F.; Spilker, R., Loss of CO from 4,6-dimethyl-2-pyrone and 2,6-dimethyl-4-pyrone radical cations, Org. Mass Spectrom., 1985, 20, 258. [all data]

Shellum and Birks, 1987
Shellum, C.L.; Birks, J.W., Anal. Chem., 1987, 59, 1834. [all data]

Misharina, Beletsky, et al., 1994
Misharina, T.A.; Beletsky, I.V.; Golovnya, R.V., Chromatographic and IR characteristics of methyl-, formyl-, and acetyl-substituted furans and thiophenes, Russ. Chem. Bull. (Engl. Transl.), 1994, 43, 1, 64-69, https://doi.org/10.1007/BF00699137 . [all data]

Golovnya, Misharina, et al., 1992
Golovnya, R.V.; Misharina, T.A.; Beletskiy, I.V., Influence of methyl, formyl and acetyl groups on retention of substituted furans and thiophenes in capillary GC, Chromatographia, 1992, 34, 9/10, 497-501, https://doi.org/10.1007/BF02290243 . [all data]

Takeoka, Perrino, et al., 1996
Takeoka, G.; Perrino, C., Jr.; Buttery, R., Volatile constituents of used frying oils, J. Agric. Food Chem., 1996, 44, 3, 654-660, https://doi.org/10.1021/jf950430m . [all data]

Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]

Shimoda and Shibamoto, 1990
Shimoda, M.; Shibamoto, T., Isolation and identification of headspace volatiles from brewed coffee with an on-column GC/MS method, J. Agric. Food Chem., 1990, 38, 3, 802-804, https://doi.org/10.1021/jf00093a045 . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Bello, A., Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit, J. Agric. Food Chem., 2002, 50, 18, 5146-5148, https://doi.org/10.1021/jf0116303 . [all data]

Ames, Guy, et al., 2001
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Notes

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