Furan

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 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-6.62kcal/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-8.29kcal/molCcbGuthrie, Scott, et al., 1952ALS
Δfgas-7.12kcal/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 (cal/mol*K) Temperature (K) Reference Comment
7.94950.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
8.014100.
8.697150.
10.42200.
14.20273.15
15.63 ± 0.36298.15
15.74300.
21.22400.
25.770500.
29.343600.
32.168700.
34.448800.
36.329900.
37.9061000.
39.2451100.
40.3851200.
41.3671300.
42.2131400.
42.9471500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
16.80317.25Guthrie G.B., 1952GT
19.15358.20
21.51402.20
23.80449.20
25.449487.20

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 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: -13.23 kcal/mol; ALS
Δfliquid-14.90kcal/molCcbGuthrie, Scott, et al., 1952ALS
Δfliquid-13.73kcal/molCcbLandrieu, Baylocq, et al., 1929ALS
Quantity Value Units Method Reference Comment
Δcliquid  CcbZaheeruddin and Lodhi, 1991uncertain value: -499.608 kcal/mol; ALS
Δcliquid-497.97kcal/molCcbGuthrie, Scott, et al., 1952Corresponding Δfliquid = -14.86 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-499.1kcal/molCcbLandrieu, Baylocq, et al., 1929Corresponding Δfliquid = -13.7 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid42.220cal/mol*KN/AGuthrie, Scott, et al., 1952, 2DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
27.380298.15Guthrie, Scott, et al., 1952, 2T = 11 to 300 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 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
Pc52.50atmN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 1.157 atm; 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
Δvap6.623kcal/molN/AMajer and Svoboda, 1985 
Δvap6.74kcal/molN/AMoiseev and Antonova, 1970Based on data from 277. to 323. K.; AC
Δvap6.60kcal/molN/AGuthrie, Scott, et al., 1952DRB

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
305.20.997Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
6.48304.5N/AMajer and Svoboda, 1985 
6.5609298.15N/AGuthrie, Scott, et al., 1952, 2P = 79.934 kPa; DH
7.22253.AStephenson and Malanowski, 1987Based on data from 238. to 356. K.; AC
6.61304.36EGuthrie, Scott, et al., 1952ALS
6.84290.N/AGuthrie, Scott, et al., 1952, 2Based on data from 275. to 334. K. See also Boublik, Fried, et al., 1984.; AC
6.50304.2VMathews and Fehlandt, 1931ALS

Enthalpy of vaporization

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
279. to 305.10.110.2802490.2Majer and Svoboda, 1985 

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
22.01298.15Guthrie, Scott, et al., 1952, 2P; DH

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
275.70 to 334.584.094321060.801-45.416Guthrie, Scott, et al., 1952, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
0.91187.6Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
3.260150.0Domalski and Hearing, 1996CAL
4.849187.6

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.48920150.0crystaline, IIcrystaline, IGuthrie, Scott, et al., 1952, 2DH
0.90880187.55crystaline, IliquidGuthrie, Scott, et al., 1952, 2DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
3.262150.0crystaline, IIcrystaline, IGuthrie, Scott, et al., 1952, 2DH
4.845187.55crystaline, 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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering 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 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
Δr10.kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; ΔrH<; M
Δr19.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6382.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
Δr391.07 ± 0.36kcal/molG+TSGrabowski and Owusugas phase; B
Δr388.2 ± 3.1kcal/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
Δr382.90 ± 0.20kcal/molIMREGrabowski and Owusugas phase; B
Δr380.0 ± 3.0kcal/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-36.12 ± 0.12kcal/molChydDolliver, Gresham, et al., 1938, 2gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -36.63 ± 0.12 kcal/mol; At 355 °K; ALS

C4H4O+ + Furan = (C4H4O+ • Furan)

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

Quantity Value Units Method Reference Comment
Δr17.2kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr23.7cal/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
Δr7.kcal/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° (kcal/mol) T (K) Method Reference Comment
11.7298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering 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 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
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
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

View reactions leading to C4H4O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.88 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)192.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity184.2kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
194. ± 2.van Beelen, Koblenz, et al., 2004T = 298K; PA derived by authors from GB with protonation entropy equated to Rlnσ(B)/σ(BH+); MM
194. ± 2.van Beelen, Koblenz, et al., 2004T = 298K; PA derived by authors from GB with protonation entropy equated to Rlnσ(B)/σ(BH+); MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
187. ± 2.van Beelen, Koblenz, et al., 2004T = 298K; PA derived by authors from GB with protonation entropy equated to Rlnσ(B)/σ(BH+); MM
187. ± 2.van Beelen, Koblenz, et al., 2004T = 298K; PA derived by authors from GB with protonation entropy equated to Rlnσ(B)/σ(BH+); MM

Ionization energy determinations

IE (eV) Method Reference Comment
8.9PEKlapstein, MacPherson, et al., 1990LL
8.88PEVeszpremi, Nyulaszi, et al., 1987LBLHLM
8.98 ± 0.03EIArimura and Yoshikawa, 1984LBLHLM
8.83PEKlasinc, Sabljic, et al., 1982LBLHLM
8.87PEKimura, Katsumata, et al., 1981LLK
8.83PEGalasso, Klasinc, et al., 1981LLK
8.88PEWillett and Baer, 1980LLK
9.0 ± 0.1CEMSTedder and Vidaud, 1980LLK
8.88 ± 0.05EIHolmes and Terlouw, 1979LLK
~8.8EIVan Veen, 1976LLK
8.89CTSAloisi, Santini, et al., 1975LLK
8.85 ± 0.05EIThorstad and Undheim, 1974LLK
8.99 ± 0.05EILinda, Marino, et al., 1971LLK
8.883PEDerrick, Asbrink, et al., 1971LLK
8.883SDerrick, Asbrink, et al., 1971LLK
8.91 ± 0.01PIPotapov and Bazhenov, 1970RDSH
8.87 ± 0.03EIJohnstone, Mellon, et al., 1970RDSH
8.89 ± 0.05PEBaker, Betteridge, et al., 1970RDSH
8.89 ± 0.01PIWatanabe, 1957RDSH
8.90PEZykov, Erchak, et al., 1983Vertical value; LBLHLM
8.88PEBock and Roth, 1983Vertical value; LBLHLM
8.89PEKobayashi, Kubota, et al., 1982Vertical value; LBLHLM
8.89PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
8.88PESchweig and Thiel, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+13.2 ± 0.1C3H3PEWillett and Baer, 1980LLK
CHO+13.7 ± 0.1C3H3CEMSTedder and Vidaud, 1980LLK
C2HO+12.5 ± 0.2C2H3CEMSTedder and Vidaud, 1980LLK
C2H2O+11.80 ± 0.10C2H2PEWillett and Baer, 1980LLK
C3H3+12.10 ± 0.10CHOPEWillett and Baer, 1980LLK
C3H3+12.8 ± 0.1CHOCEMSTedder and Vidaud, 1980LLK
C3H4+11.48 ± 0.05COEIMommers, Burgers, et al., 1984LBLHLM
C3H4+11.60 ± 0.10COPEWillett and Baer, 1980LLK
C3H4+12.7 ± 0.1COCEMSTedder and Vidaud, 1980LLK

De-protonation reactions

C4H3O- + Hydrogen cation = Furan

By formula: C4H3O- + H+ = C4H4O

Quantity Value Units Method Reference Comment
Δr391.07 ± 0.36kcal/molG+TSGrabowski and Owusugas phase; B
Δr388.2 ± 3.1kcal/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
Δr382.90 ± 0.20kcal/molIMREGrabowski and Owusugas phase; B
Δr380.0 ± 3.0kcal/molIMRBDePuy, Kass, et al., 1988gas phase; Order:H2O < furan < 2-Me-furan < MeOH. D exchange indicates anion at C-2.; B

Ion clustering data

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, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C4H4O+ + Furan = (C4H4O+ • Furan)

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

Quantity Value Units Method Reference Comment
Δr17.2kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr23.7cal/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
Δr7.kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; ΔrH<; M

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
Δr10.kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; ΔrH<; M
Δr19.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6382.PHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

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

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

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
11.7298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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: Coblentz Society, Inc.

Gas Phase Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

IR spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

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

Additional Data

View scan of original (hardcopy) spectrum.

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner Copyright (C) 1987 by the Coblentz Society
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 8800
Date 1964
State GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg)
Instrument DOW KBr FOREPRISM-GRATING
Instrument parameters GRATING CHANGED AT 5.0, 7.5, 15.0 MICRON
Path length 5 CM
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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, Ion clustering 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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- 16
NIST MS number 228308

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

UVVis spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Source Mason, 1967
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. 19848
Instrument Hilger Uvispek
Boiling point 32

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.

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]

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]

van Beelen, Koblenz, et al., 2004
van Beelen, E.S.E.; Koblenz, T.A.; Ingemann, S.; Hammerum, S., Experimental and theoretical evaluation of proton affinities of furan, the methylphenols, and the related anisoles, J. Phys. Chem. A, 2004, 108, 2787. [all data]

Klapstein, MacPherson, et al., 1990
Klapstein, D.; MacPherson, C.D.; O'Brien, R.T., The photoelectron spectra and electronic structure of 2-carbonyl furans, Can. J. Chem., 1990, 68, 747. [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]

Arimura and Yoshikawa, 1984
Arimura, M.; Yoshikawa, Y., Ionization efficiency and ionization energy of cyclic compounds by electron impact, Mass Spectrosc. (Tokyo), 1984, 32, 375. [all data]

Klasinc, Sabljic, et al., 1982
Klasinc, L.; Sabljic, A.; Kluge, G.; Rieger, J.; Scholz, M., Chemistry of excited states. Part 13. Assignment of lowest .PI.-ionizations in photoelectron spectra of thiophen, furan, and pyrrole, J. Chem. Soc. Perkin Trans. 2, 1982, 539. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Galasso, Klasinc, et al., 1981
Galasso, V.; Klasinc, L.; Sabluic, A.; Trinajstic, N.; Pappalardo, G.C.; Steglich, W., Conformation and photoelectron spectra of 2-(2-Furyl)pyrrole and 2-(2-tThienyl)pyrrole, J. Chem. Soc. Perkin Trans. 2, 1981, 127. [all data]

Willett and Baer, 1980
Willett, G.D.; Baer, T., Thermochemistry and dissociation dynamics of state-selected C4H4X ions. 2. Furan 3-butyn-2-one, J. Am. Chem. Soc., 1980, 102, 6769. [all data]

Tedder and Vidaud, 1980
Tedder, J.M.; Vidaud, P.H., Charge exchange mass spectra of thiophene, pyrrole and furan, J. Chem. Soc. Faraday Trans. 2, 1980, 76, 1516. [all data]

Holmes and Terlouw, 1979
Holmes, J.L.; Terlouw, J.K., Structures of [C4H4O]+ ions produced from 2- and 4-pyrone, J. Am. Chem. Soc., 1979, 101, 4973. [all data]

Van Veen, 1976
Van Veen, E.H., Triplet π-π* transitions in thiophene, furan and pyrrole by low-energy electron-impact spectroscopy, Chem. Phys. Lett., 1976, 41, 535. [all data]

Aloisi, Santini, et al., 1975
Aloisi, G.; Santini, S.; Savelli, G., Molecular complexes of heteroaromatic five membered ring compounds with tetracyanoethylene. Charge transfer spectra, equilibrium constants and ionization potentials of the donors, J. Chem. Soc. Faraday Trans. 1, 1975, 70, 2045. [all data]

Thorstad and Undheim, 1974
Thorstad, O.; Undheim, K., Mass spectrometry of onium compounds. XXIV. Ionisation potential in structure analysis of pyridodiazo-oxides, Chem. Scr., 1974, 6, 222. [all data]

Linda, Marino, et al., 1971
Linda, P.; Marino, G.; Pignataro, S., A comparison of sensitivities to substituent effects of five- membered heteroaromatic rings in gas phase ionization, J. Chem. Soc. B, 1971, 1585. [all data]

Derrick, Asbrink, et al., 1971
Derrick, P.J.; Asbrink, L.; Edqvist, O.; Jonsson, B.-O.; Lindholm, E., Rydberg series in small molecules. X. Photoelectron spectroscopy and electronic structure of furan, Intern. J. Mass Spectrom. Ion Phys., 1971, 6, 161. [all data]

Potapov and Bazhenov, 1970
Potapov, V.K.; Bazhenov, B.A., The photionization of pyrrole, furan, and thiophene, High Energy Chem., 1970, 505, In original 553. [all data]

Johnstone, Mellon, et al., 1970
Johnstone, R.A.W.; Mellon, F.A.; Ward, S.D., Online acquisition of ionization efficiency data, Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 241. [all data]

Baker, Betteridge, et al., 1970
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E., Application of photoelectron spectrometry to pesticide analysis. Photoelectron spectra of fivemembered heterocycles and related molecules, Anal. Chem., 1970, 42, 1064. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [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]

Bock and Roth, 1983
Bock, H.; Roth, B., Radical ions. 49. Redox reactions of some thiophene derivatives, Phosphorus Sulfur, 1983, 14, 211. [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]

Bieri, Asbrink, et al., 1982
Bieri, G.; Asbrink, L.; Von Niessen, W., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1982, 27, 129. [all data]

Schweig and Thiel, 1974
Schweig, A.; Thiel, W., Photoionization cross sections: He I- and He II-photoelectron spectra of homologous oxygen and sulphur compounds, Mol. Phys., 1974, 27, 265. [all data]

Mommers, Burgers, et al., 1984
Mommers, A.A.; Burgers, P.C.; Holmes, J.L.; Terlouw, J.K., Isomeric [C3H4]+ ions: Their identification and generation in dissociative ionizations, Org. Mass Spectrom., 1984, 19, 7. [all data]

Mason, 1967
Mason, S.F., UV atlas of organic compounds, 1967, 3, G1/1. [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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References