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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
Deltafgas-6.62kcal/molN/AZaheeruddin and Lodhi, 1991Value computed using «DELTA»fHliquid° value of -55.4 kj/mol from Zaheeruddin and Lodhi, 1991 and «DELTA»vapH° value of 27.6 kj/mol from Guthrie, Scott, et al., 1952.; DRB
Deltafgas-8.29kcal/molCcbGuthrie, Scott, et al., 1952ALS
Deltafgas-7.12kcal/molN/ALandrieu, Baylocq, et al., 1929Value computed using «DELTA»fHliquid° value of -57.5 kj/mol from Landrieu, Baylocq, et al., 1929 and «DELTA»vapH° 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

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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
Deltafliquid  CcbZaheeruddin and Lodhi, 1991uncertain value: -13.23 kcal/mol; ALS
Deltafliquid-14.90kcal/molCcbGuthrie, Scott, et al., 1952ALS
Deltafliquid-13.73kcal/molCcbLandrieu, Baylocq, et al., 1929ALS
Quantity Value Units Method Reference Comment
Deltacliquid  CcbZaheeruddin and Lodhi, 1991uncertain value: -499.608 kcal/mol; ALS
Deltacliquid-497.97kcal/molCcbGuthrie, Scott, et al., 1952Corresponding «DELTA»fliquid = -14.86 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-499.1kcal/molCcbLandrieu, Baylocq, et al., 1929Corresponding «DELTA»fliquid = -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

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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
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
Deltavap6.623kcal/molN/AMajer and Svoboda, 1985 
Deltavap6.74kcal/molN/AMoiseev and Antonova, 1970Based on data from 277. - 323. K.; AC
Deltavap6.60kcal/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

DeltavapH (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. - 356. K.; AC
6.61304.36EGuthrie, Scott, et al., 1952ALS
6.84290.N/AGuthrie, Scott, et al., 1952, 2Based on data from 275. - 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)

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

Entropy of vaporization

DeltavapS (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)

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

Enthalpy of fusion

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

Entropy of fusion

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

Enthalpy of phase transition

DeltaHtrs (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

DeltaStrs (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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, 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 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+ bullet Furan)

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

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

Quantity Value Units Method Reference Comment
Deltar10.kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; «DELTA»rH<; M
Deltar19.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M
Quantity Value Units Method Reference Comment
Deltar32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M

Free energy of reaction

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

C4H3O- + Hydrogen cation = Furan

By formula: C4H3O- + H+ = C4H4O

Quantity Value Units Method Reference Comment
Deltar391.07 ± 0.36kcal/molG+TSGrabowski and Owusugas phase; B
Deltar388.2 ± 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
Deltar382.90 ± 0.20kcal/molIMREGrabowski and Owusugas phase; B
Deltar380.0 ± 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
Deltar-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+ bullet Furan)

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

Quantity Value Units Method Reference Comment
Deltar17.2kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(C4H4O+ bullet Furan) + Furan = (C4H4O+ bullet 2Furan)

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

Quantity Value Units Method Reference Comment
Deltar7.kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; «DELTA»rH<; M

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

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

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
11.7298.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.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, 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 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 Rln«sigma»(B)/«sigma»(BH+); MM
194. ± 2.van Beelen, Koblenz, et al., 2004T = 298K; PA derived by authors from GB with protonation entropy equated to Rln«sigma»(B)/«sigma»(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 Rln«sigma»(B)/«sigma»(BH+); MM
187. ± 2.van Beelen, Koblenz, et al., 2004T = 298K; PA derived by authors from GB with protonation entropy equated to Rln«sigma»(B)/«sigma»(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
Deltar391.07 ± 0.36kcal/molG+TSGrabowski and Owusugas phase; B
Deltar388.2 ± 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
Deltar382.90 ± 0.20kcal/molIMREGrabowski and Owusugas phase; B
Deltar380.0 ± 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, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, 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 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+ bullet Furan)

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

Quantity Value Units Method Reference Comment
Deltar17.2kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(C4H4O+ bullet Furan) + Furan = (C4H4O+ bullet 2Furan)

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

Quantity Value Units Method Reference Comment
Deltar7.kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; «DELTA»rH<; M

C4H5O+ + Furan = (C4H5O+ bullet Furan)

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

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

Quantity Value Units Method Reference Comment
Deltar10.kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; «DELTA»rH<; M
Deltar19.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M
Quantity Value Units Method Reference Comment
Deltar32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<; M

Free energy of reaction

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

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

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

Free energy of reaction

DeltarG° (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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, 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: Coblentz Society, Inc.

Gas Phase Spectrum

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IR spectrum
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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.

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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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, 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

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- 16
NIST MS number 228308

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UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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: 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 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

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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: Takehiko Shimanouchi

Symmetry:   C2nu     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 CH str 3154  D 3154 VS p liq.
a1 2 CH str 3140  D 3140 sh gas
a1 3 ip-Ring II 1491  C 1491 VS gas 1483 VS p liq.
a1 4 ip-Ring III 1384  C 1384 M gas 1380 S p liq.
a1 5 ip-Ring IV 1140  D 1140 sh liq. 1137 VS p liq.
a1 6 CH ip-bend 1066  C 1066 S gas 1061 M p liq.
a1 7 CH ip-bend 995  C 995 VS gas 986 M p liq.
a1 8 ip-Ring VII 871  C 871 S gas
a2 9 CH op-bend 863  C  ia OC(«nu»9+«nu»16, «nu»9+«nu»17, «nu»9+«nu»19, «nu»9+«nu»2)
a2 10 CH op-bend 728  D  ia 728 W dp liq.
a2 11 op-Ring I 613  D  ia 613 VW dp liq.
b1 12 CH str 3161  C 3161 M gas
b1 13 CH str 3129  C 3129 M gas 3121 S dp liq.
b1 14 ip-Ring I 1556  C 1556 W gas
b1 15 CH ip-bend 1267  C 1267 VW gas 1270 VW dp liq.
b1 16 CH ip-bend 1180  C 1180 VS gas 1171 W dp liq.
b1 17 ip-Ring V 1040  D 1040 sh liq. 1034 M dp liq.
b1 18 ip-Ring VI 873  D 873 W dp liq.
b2 19 CH op-bend 838  C 838 VW gas 839 W dp liq.
b2 20 CH op-bend 745  C 745 VS gas
b2 21 op-Ring II 603  C 603 S gas 601 W dp liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
iaInactive
shShoulder
pPolarized
dpDepolarized
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, 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-1100.500.Misharina, Beletsky, et al., 199460. m/0.32 mm/0.25 «mu»m
PackedSE-30100.498.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedApiezon L120.483.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.492.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedSE-3080.485.Viani, Müggler-Chavan, et al., 1965He, Chromosorb P; Column length: 6. m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedPEG-2000150.798.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.779.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.790.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000180.800.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000200.797.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000200.802.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-Wax797.Shimoda and Shibamoto, 1990He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C
PackedPEG-20M786.Galt and MacLeod, 1984N2, Celite, 70. C @ 9. min, 10. K/min; Column length: 5.5 m; Tend: 175. C

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

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Column type Active phase I Reference Comment
CapillaryOV-101500.Misharina, Golovnya, et al., 199350. m/0.32 mm/0.5 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryFFAP802.Ott, Fay, et al., 199730. m/0.25 mm/0.25 «mu»m, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min

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

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Column type Active phase I Reference Comment
CapillarySupelcowax-10802.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10801.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L100.495.Kavan, 1973Column length: 3.2 m

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-1492.Barrefors, Björkqvist, et al., 199650. m/0.32 mm/1. «mu»m, 3. K/min; Tstart: -30. C

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

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Column type Active phase I Reference Comment
CapillarySE-30500.Vinogradov, 2004Program: not specified
CapillaryOV-101500.Shibamoto, 1987Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.498.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-Innowax827.Feng, Zhuang, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 1. min, 3. K/min, 220. C @ 5. min
CapillaryZB-Wax813.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
CapillarySupelcowax-10800.Girard and Durance, 200060. m/0.25 mm/0.25 «mu»m, He, 35. C @ 10. min, 4. K/min; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-Innowax831.Feng, Zhuang, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillarySupelcowax 10760.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)
CapillaryCarbowax 20M786.Vinogradov, 2004Program: not specified
CapillaryDB-Wax800.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax 20M786.Shibamoto, 1987Program: not specified

Lee's RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-5131.1Fuentes, Font, et al., 2007Column length: 60. m; Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, 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.

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]

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

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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]

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Notes

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