Tetrahydrofuran

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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, Ion clustering data, IR 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-184.2 ± 0.71kJ/molCmPell and Pilcher, 1965ALS
Quantity Value Units Method Reference Comment
Δcgas-2533.2 ± 0.67kJ/molCmPell and Pilcher, 1965Corresponding Δfgas = -184.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas301.7 ± 1.7J/mol*KN/AClegg G.A., 1968Other third-law entropy values at 298.15 K evaluated from calorimetric data are 299.1 J/mol*K [ Chao J., 1986] and 288(1) J/mol*K [ Lebedev B.V., 1978].; GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
38.3250.Dorofeeva O.V., 1992p=1 bar. Selected thermodynamic functions agree well with results of other statistical calculations [ Scott D.W., 1970, Chao J., 1986].; GT
40.34100.
44.64150.
52.15200.
69.51273.15
76.6 ± 1.0298.15
77.18300.
107.07400.
134.43500.
157.48600.
176.67700.
192.76800.
206.36900.
217.921000.
227.781100.
236.221200.
243.471300.
249.711400.
255.111500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
85.13 ± 0.17328.15Hossenlopp I.A., 1981GT
91.36 ± 0.18349.15
106.12 ± 0.21399.15
120.39 ± 0.24449.15
133.68 ± 0.27500.15

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, 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
Δcliquid-2505.8 ± 2.1kJ/molCcbCass, Fletcher, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -2505. ± 2. kJ/mol; Corresponding Δfliquid = -211.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-2501.2 ± 0.84kJ/molCcbSkuratov, Strepikheev, et al., 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -2502. ± 0.4 kJ/mol; Combustion at 293 K; Corresponding Δfliquid = -216.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid203.8J/mol*KN/ALebedev, Lityagov, et al., 1979DH
liquid203.9J/mol*KN/ALebedev, Rabinovich, et al., 1978DH
liquid203.9J/mol*KN/ALebedev and Lityagov, 1977DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
124.1298.15Costas and Patterson, 1985T = 283.15, 298.15, 313.15 K.; DH
124.1298.15Costas and Patterson, 1985, 2DH
122.92298.15Inglese, Castagnolo, et al., 1981DH
123.56298.15Kiyohara, D'Arcy, et al., 1979DH
123.9298.15Lebedev, Rabinovich, et al., 1978T = 8 to 322 K.; DH
123.9298.15Lebedev and Lityagov, 1977T = 5 to 400 K.; DH
120.298.15Bonner and Cerutti, 1976DH
120.5298.Conti, Gianni, et al., 1976DH

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, 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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil339. ± 1.KAVGN/AAverage of 16 out of 17 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus165.1KN/AHayduk, Laudie, et al., 1973Uncertainty assigned by TRC = 0.5 K; TRC
Tfus164.15KN/ABrooks and Pilcher, 1959Uncertainty assigned by TRC = 1. K; TRC
Tfus164.63KN/ABoord, Greenlee, et al., 1946Uncertainty assigned by TRC = 0.2 K; TRC
Tfus164.05KN/ADolliver, Gresham, et al., 1938Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Ttriple164.76KN/AWilhoit, Chao, et al., 1985Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple164.76KN/ALebedev, Lityagov, et al., 1979Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple164.76KN/ALebedev, Rabinovich, et al., 1978, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc540.2KN/AMajer and Svoboda, 1985 
Tc540.1KN/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
Tc541.KN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Pc51.90barN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.5066 bar; TRC
Quantity Value Units Method Reference Comment
Vc0.225l/molN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.003 l/mol; TRC
Quantity Value Units Method Reference Comment
Δvap32.16kJ/molN/AMajer and Svoboda, 1985 
Δvap32.kJ/molCHossenlopp and Scott, 1981AC
Δvap32.9kJ/molN/AMoiseev and Antonova, 1970Based on data from 224. to 360. K.; AC
Δvap32.kJ/molVCass, Fletcher, et al., 1958ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
29.81339.1N/AMajer and Svoboda, 1985 
32.3305.N/ALoras, Aucejo, et al., 2001Based on data from 290. to 339. K.; AC
33.1288.AStephenson and Malanowski, 1987Based on data from 273. to 339. K.; AC
29.414.AStephenson and Malanowski, 1987Based on data from 399. to 479. K.; AC
29.6482.AStephenson and Malanowski, 1987Based on data from 467. to 541. K.; AC
32.5 ± 0.2288.N/ABorisov and Chugunova, 1976Based on data from 235. to 340. K.; AC
30.8320.N/ARivenq, 1975Based on data from 302. to 339. K.; AC
32.8288.N/AKoizumi and Ouchi, 1970Based on data from 273. to 308. K. See also Boublik, Fried, et al., 1984.; AC
31.9311.N/AScott D.W., 1970Based on data from 296. to 373. K. See also Boublik, Fried, et al., 1984.; AC
33.293.VSkuratov, Strepikheev, et al., 1957Combustion at 293 K; ALS
31.8313.N/AKlages and Möhler, 1948Based on data from 293. to 313. K. See also Cass, Fletcher, et al., 1958, 2.; AC

Enthalpy of vaporization

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

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Temperature (K) A (kJ/mol) β Tc (K) Reference Comment
302. to 339.46.110.2699540.2Majer and Svoboda, 1985 

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
296.29 to 372.84.121181202.942-46.818Scott D.W., 1970Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
8.540164.76Lebedev, Rabinovich, et al., 1978DH
8.540164.76Lebedev and Lityagov, 1977DH
8.54164.8Acree, 1991AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
51.8164.76Lebedev, Rabinovich, et al., 1978DH
51.83164.76Lebedev and Lityagov, 1977DH

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
8.540164.76crystaline, IliquidLebedev, Lityagov, et al., 1979DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
51.83164.76crystaline, IliquidLebedev, Lityagov, et al., 1979DH

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, 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
MS - José A. Martinho Simões

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

C4H9O+ + Tetrahydrofuran = (C4H9O+ • Tetrahydrofuran)

By formula: C4H9O+ + C4H8O = (C4H9O+ • C4H8O)

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

Quantity Value Units Method Reference Comment
Δr125.kJ/molPHPMSHiraoka and Takimoto, 1986gas phase; M
Δr136.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr122.J/mol*KPHPMSHiraoka and Takimoto, 1986gas phase; M
Δr135.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr95.8kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C4H11O+ + Tetrahydrofuran = (C4H11O+ • Tetrahydrofuran)

By formula: C4H11O+ + C4H8O = (C4H11O+ • C4H8O)

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

Quantity Value Units Method Reference Comment
Δr127.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr123.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr90.4kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C5H11O+ + Tetrahydrofuran = (C5H11O+ • Tetrahydrofuran)

By formula: C5H11O+ + C4H8O = (C5H11O+ • C4H8O)

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

Quantity Value Units Method Reference Comment
Δr126.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, 86 KEE/CAS; M
Quantity Value Units Method Reference Comment
Δr123.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, 86 KEE/CAS; M
Quantity Value Units Method Reference Comment
Δr89.1kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, 86 KEE/CAS; M

(C4H9O+ • Tetrahydrofuran) + Tetrahydrofuran = (C4H9O+ • 2Tetrahydrofuran)

By formula: (C4H9O+ • C4H8O) + C4H8O = (C4H9O+ • 2C4H8O)

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

Quantity Value Units Method Reference Comment
Δr32.kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr75.J/mol*KN/AHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated; M

C6H5NO2- + Tetrahydrofuran = (C6H5NO2- • Tetrahydrofuran)

By formula: C6H5NO2- + C4H8O = (C6H5NO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr13. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.308.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Tetrahydrofuran = (C7H4N2O2- • Tetrahydrofuran)

By formula: C7H4N2O2- + C4H8O = (C7H4N2O2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr5.9 ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
5.9308.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Tetrahydrofuran = (C6H4FNO2- • Tetrahydrofuran)

By formula: C6H4FNO2- + C4H8O = (C6H4FNO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr13. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.308.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Tetrahydrofuran = (C6H4FNO2- • Tetrahydrofuran)

By formula: C6H4FNO2- + C4H8O = (C6H4FNO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr12. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
12.308.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Tetrahydrofuran = (C6H4FNO2- • Tetrahydrofuran)

By formula: C6H4FNO2- + C4H8O = (C6H4FNO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr12. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
12.308.PHPMSChowdhury, 1987gas phase; M

C7H7NO2- + Tetrahydrofuran = (C7H7NO2- • Tetrahydrofuran)

By formula: C7H7NO2- + C4H8O = (C7H7NO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr13. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.308.PHPMSChowdhury, 1987gas phase; M

C7H7NO2- + Tetrahydrofuran = (C7H7NO2- • Tetrahydrofuran)

By formula: C7H7NO2- + C4H8O = (C7H7NO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr13. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.308.PHPMSChowdhury, 1987gas phase; M

C7H7NO2- + Tetrahydrofuran = (C7H7NO2- • Tetrahydrofuran)

By formula: C7H7NO2- + C4H8O = (C7H7NO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr13. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.308.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Tetrahydrofuran = (C7H4N2O2- • Tetrahydrofuran)

By formula: C7H4N2O2- + C4H8O = (C7H4N2O2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr15. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.308.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Tetrahydrofuran = (C7H4N2O2- • Tetrahydrofuran)

By formula: C7H4N2O2- + C4H8O = (C7H4N2O2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr8.8 ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
8.8308.PHPMSChowdhury, 1987gas phase; M

Furan + 2Hydrogen = Tetrahydrofuran

By formula: C4H4O + 2H2 = C4H8O

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

Magnesium ion (1+) + Tetrahydrofuran = (Magnesium ion (1+) • Tetrahydrofuran)

By formula: Mg+ + C4H8O = (Mg+ • C4H8O)

Quantity Value Units Method Reference Comment
Δr280. ± 20.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Tetrahydrofuran (solution) + Tungsten hexacarbonyl (solution) = C9H8O6W (solution) + Carbon monoxide (solution)

By formula: C4H8O (solution) + C6O6W (solution) = C9H8O6W (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr60.7 ± 4.2kJ/molPCNakashima and Adamson, 1982solvent: Tetrahydrofuran; MS

C14H21MnO2 (solution) + Tetrahydrofuran (solution) = C11H13MnO3 (solution) + Heptane (solution)

By formula: C14H21MnO2 (solution) + C4H8O (solution) = C11H13MnO3 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Δr-67.4 ± 5.9kJ/molPACKlassen, Selke, et al., 1990solvent: Heptane; MS

C12H16CrO5 (solution) + Tetrahydrofuran (solution) = C9H8CrO6 (solution) + Heptane (solution)

By formula: C12H16CrO5 (solution) + C4H8O (solution) = C9H8CrO6 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Δr-51.9 ± 5.0kJ/molPACYang, Peters, et al., 1986solvent: Heptane; MS

Furan, 2,3-dihydro- + Hydrogen = Tetrahydrofuran

By formula: C4H6O + H2 = C4H8O

Quantity Value Units Method Reference Comment
Δr-107.0 ± 1.3kJ/molChydAllinger, Glaser, et al., 1981liquid phase; solvent: Hexane; ALS

Hydrogen + Furan, 2,5-dihydro- = Tetrahydrofuran

By formula: H2 + C4H6O = C4H8O

Quantity Value Units Method Reference Comment
Δr-117.1 ± 1.3kJ/molChydAllinger, Glaser, et al., 1981liquid phase; solvent: Hexane; ALS

Tetrahydrofuran (solution) + C20H30Sm (solution) = C24H38OSm (solution)

By formula: C4H8O (solution) + C20H30Sm (solution) = C24H38OSm (solution)

Quantity Value Units Method Reference Comment
Δr-30.5 ± 1.7kJ/molRSCNolan, Stern, et al., 1989solvent: Toluene; MS

C24H38OSm (solution) + Tetrahydrofuran (solution) = C28H46O2Sm (solution)

By formula: C24H38OSm (solution) + C4H8O (solution) = C28H46O2Sm (solution)

Quantity Value Units Method Reference Comment
Δr-20.5 ± 4.2kJ/molRSCNolan, Stern, et al., 1989solvent: Toluene; MS

C24H39Si3U (solution) + Tetrahydrofuran (solution) = C28H47OSi3U (solution)

By formula: C24H39Si3U (solution) + C4H8O (solution) = C28H47OSi3U (solution)

Quantity Value Units Method Reference Comment
Δr-41.0 ± 0.8kJ/molRSCSchock, Seyam, et al., 1988solvent: Toluene; MS

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, 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:
LL - Sharon G. Lias and Joel F. Liebman
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 C4H8O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.40 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)822.1kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity794.7kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.38 ± 0.05EIHolmes and Lossing, 1991LL
9.38PEBehan, Dean, et al., 1976LLK
9.41SDoucet, Sauvageau, et al., 1972LLK
9.42 ± 0.01SHernandez, 1963RDSH
9.54PIWatanabe, Nakayama, et al., 1962RDSH
9.74PEKimura, Katsumata, et al., 1981Vertical value; LLK
9.71PEGerson, Worley, et al., 1978Vertical value; LLK
9.65PESchmidt and Schweig, 1974Vertical value; LLK
9.53PEPignataro and Distefano, 1974Vertical value; LLK
9.57 ± 0.02PEBain, Bunzli, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H2+17.3 ± 0.3?EIGallegos and Kiser, 1962RDSH
C2H3+16.1 ± 0.3?EIGallegos and Kiser, 1962RDSH
C2H3O+12.8 ± 0.2?EIGallegos and Kiser, 1962RDSH
C2H4O+12.27C2H4EICollin and Conde-Caprace, 1966RDSH
C2H5+15.8 ± 0.2?EIGallegos and Kiser, 1962RDSH
C3H3+18.7 ± 0.6?EIGallegos and Kiser, 1962RDSH
C3H4+15.2 ± 0.3?EIGallegos and Kiser, 1962RDSH
C3H5+13.72?EICollin and Conde-Caprace, 1966RDSH
C3H6+11.54?EICollin and Conde-Caprace, 1966RDSH
C4H7O+10.44HEICollin and Conde-Caprace, 1966RDSH

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, 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

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

C4H9O+ + Tetrahydrofuran = (C4H9O+ • Tetrahydrofuran)

By formula: C4H9O+ + C4H8O = (C4H9O+ • C4H8O)

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

Quantity Value Units Method Reference Comment
Δr125.kJ/molPHPMSHiraoka and Takimoto, 1986gas phase; M
Δr136.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr122.J/mol*KPHPMSHiraoka and Takimoto, 1986gas phase; M
Δr135.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr95.8kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

(C4H9O+ • Tetrahydrofuran) + Tetrahydrofuran = (C4H9O+ • 2Tetrahydrofuran)

By formula: (C4H9O+ • C4H8O) + C4H8O = (C4H9O+ • 2C4H8O)

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

Quantity Value Units Method Reference Comment
Δr32.kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr75.J/mol*KN/AHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated; M

C4H11O+ + Tetrahydrofuran = (C4H11O+ • Tetrahydrofuran)

By formula: C4H11O+ + C4H8O = (C4H11O+ • C4H8O)

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

Quantity Value Units Method Reference Comment
Δr127.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr123.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr90.4kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C5H11O+ + Tetrahydrofuran = (C5H11O+ • Tetrahydrofuran)

By formula: C5H11O+ + C4H8O = (C5H11O+ • C4H8O)

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

Quantity Value Units Method Reference Comment
Δr126.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, 86 KEE/CAS; M
Quantity Value Units Method Reference Comment
Δr123.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, 86 KEE/CAS; M
Quantity Value Units Method Reference Comment
Δr89.1kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, 86 KEE/CAS; M

C6H4FNO2- + Tetrahydrofuran = (C6H4FNO2- • Tetrahydrofuran)

By formula: C6H4FNO2- + C4H8O = (C6H4FNO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr13. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.308.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Tetrahydrofuran = (C6H4FNO2- • Tetrahydrofuran)

By formula: C6H4FNO2- + C4H8O = (C6H4FNO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr12. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
12.308.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Tetrahydrofuran = (C6H4FNO2- • Tetrahydrofuran)

By formula: C6H4FNO2- + C4H8O = (C6H4FNO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr12. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
12.308.PHPMSChowdhury, 1987gas phase; M

C6H5NO2- + Tetrahydrofuran = (C6H5NO2- • Tetrahydrofuran)

By formula: C6H5NO2- + C4H8O = (C6H5NO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr13. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.308.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Tetrahydrofuran = (C7H4N2O2- • Tetrahydrofuran)

By formula: C7H4N2O2- + C4H8O = (C7H4N2O2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr8.8 ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
8.8308.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Tetrahydrofuran = (C7H4N2O2- • Tetrahydrofuran)

By formula: C7H4N2O2- + C4H8O = (C7H4N2O2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr15. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.308.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Tetrahydrofuran = (C7H4N2O2- • Tetrahydrofuran)

By formula: C7H4N2O2- + C4H8O = (C7H4N2O2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr5.9 ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
5.9308.PHPMSChowdhury, 1987gas phase; M

C7H7NO2- + Tetrahydrofuran = (C7H7NO2- • Tetrahydrofuran)

By formula: C7H7NO2- + C4H8O = (C7H7NO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr13. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.308.PHPMSChowdhury, 1987gas phase; M

C7H7NO2- + Tetrahydrofuran = (C7H7NO2- • Tetrahydrofuran)

By formula: C7H7NO2- + C4H8O = (C7H7NO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr13. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.308.PHPMSChowdhury, 1987gas phase; M

C7H7NO2- + Tetrahydrofuran = (C7H7NO2- • Tetrahydrofuran)

By formula: C7H7NO2- + C4H8O = (C7H7NO2- • C4H8O)

Quantity Value Units Method Reference Comment
Δr13. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 35°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.308.PHPMSChowdhury, 1987gas phase; M

Magnesium ion (1+) + Tetrahydrofuran = (Magnesium ion (1+) • Tetrahydrofuran)

By formula: Mg+ + C4H8O = (Mg+ • C4H8O)

Quantity Value Units Method Reference Comment
Δr280. ± 20.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

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, References, Notes

Data compiled by: Coblentz Society, Inc.

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


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, Notes

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

Pell and Pilcher, 1965
Pell, A.S.; Pilcher, G., Measurements of heats of combustion by flame calorimetry. Part 3.-Ethylene oxide, trimethylene oxide, tetrahydrofuran and tetrahydropy, Trans. Faraday Soc., 1965, 61, 71-77. [all data]

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Lebedev B.V., Thermodynamic properties of tetrahydrofuran from 8 to 322 K, J. Chem. Thermodyn., 1978, 10, 321-329. [all data]

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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]

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Cass, Fletcher, et al., 1958
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Springall, H.D.; White, T.R., Heats of combustion and molecular structure. Part V. The mean bond energy term for the C-O bond in ethers, and the structures of some cyclic ethers, J. Chem. Soc., 1958, 1406-1410. [all data]

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Costas, M.; Patterson, D., Self-association of alcohols in inert solvents, J. Chem. Soc., Faraday Trans. 1, 1985, 81, 635-654. [all data]

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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]

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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]

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Gerson, S.H.; Worley, S.D.; Bodor, N.; Kaminski, J.J.; Flechtner, T.W., The photoelectron spectra of some heterocyclic compounds which contain N, O, Cl, and Br, J. Electron Spectrosc. Relat. Phenom., 1978, 13, 421. [all data]

Schmidt and Schweig, 1974
Schmidt, H.; Schweig, A., Notiz zur transanularen n/π-Wechselwirkung in 2,5-Dihydrofuran, Chem. Ber., 1974, 107, 725. [all data]

Pignataro and Distefano, 1974
Pignataro, S.; Distefano, G., n-σ mixing in pentatomic heterocyclic compounds of sixth group by photoelectron spectroscopy, Chem. Phys. Lett., 1974, 26, 356. [all data]

Bain, Bunzli, et al., 1973
Bain, A.D.; Bunzli, J.C.; Frost, D.C.; Weiler, L., Photoelectron spectra of cyclic ethers, J. Am. Chem. Soc., 1973, 95, 291. [all data]

Gallegos and Kiser, 1962
Gallegos, E.J.; Kiser, R.W., Electron impact spectroscopy of the four- and five-membered, saturated heterocyclic compounds containing nitrogen, oxygen and sulfur, J. Phys. Chem., 1962, 66, 136. [all data]

Collin and Conde-Caprace, 1966
Collin, J.E.; Conde-Caprace, G., Ionization and dissociation of cyclic ethers by electron impact, Intern. J. Mass Spectrom. Ion Phys., 1966, 1, 213. [all data]


Notes

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