Tetrahydrofuran

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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
ΔfH°gas-184.2 ± 0.71kJ/molCmPell and Pilcher, 1965ALS
Quantity Value Units Method Reference Comment
ΔcH°gas-2533.2 ± 0.67kJ/molCmPell and Pilcher, 1965Corresponding ΔfHºgas = -184.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
S°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

Phase change data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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., 1978Uncertainty 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
ΔvapH°32.16kJ/molN/AMajer and Svoboda, 1985 
ΔvapH°32.kJ/molCHossenlopp and Scott, 1981AC
ΔvapH°32.9kJ/molN/AMoiseev and Antonova, 1970Based on data from 224. to 360. K.; AC
ΔvapH°32.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., 1978, 2DH
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., 1978, 2DH
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, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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
ΔrH°125.kJ/molPHPMSHiraoka and Takimoto, 1986gas phase; M
ΔrH°136.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
ΔrS°122.J/mol*KPHPMSHiraoka and Takimoto, 1986gas phase; M
ΔrS°135.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
ΔrG°95.8kJ/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
ΔrH°127.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
ΔrS°123.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
ΔrG°90.4kJ/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
ΔrH°126.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
ΔrS°123.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
ΔrG°89.1kJ/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
ΔrH°32.kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°75.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
ΔrG°13. ± 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
ΔrG°5.9 ± 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
ΔrG°13. ± 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
ΔrG°12. ± 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
ΔrG°12. ± 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
ΔrG°13. ± 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
ΔrG°13. ± 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
ΔrG°13. ± 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
ΔrG°15. ± 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
ΔrG°8.8 ± 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
ΔrH°-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
ΔrH°280. ± 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
ΔrH°60.7 ± 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
ΔrH°-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
ΔrH°-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
ΔrH°-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
ΔrH°-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
ΔrH°-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
ΔrH°-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
ΔrH°-41.0 ± 0.8kJ/molRSCSchock, Seyam, et al., 1988solvent: Toluene; MS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, Gas Chromatography, 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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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- 76
NIST MS number 227725

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UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, 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, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

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Source Pickett, Hoeflich, et al., 1951
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. 21
Instrument Hilger fluorite prism spectrograph
Melting point -108.3
Boiling point 65

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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: 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
PackedC78, Branched paraffin130.609.9Dallos, Sisak, et al., 2000He; Column length: 3.3 m
PackedC78, Branched paraffin130.609.8Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedApolane130.611.Dutoit, 1991Column length: 3.7 m
PackedSE-30150.630.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedSE-30100.626.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedApiezon L120.620.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.631.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L70.618.Bogoslovsky, Anvaer, et al., 1978 
PackedApolane130.612.9Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
PackedApolane190.623.2Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
PackedSilicon High Vacuum Grease (obsolete)170.640.Jonas, Janák, et al., 1966H2
PackedSilicon High Vacuum Grease (obsolete)170.640.Janák, Jonas, et al., 1965H2, Celite
PackedApiezon L130.631.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L70.618.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-1617.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C
CapillarySE-54621.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C
CapillaryOV-101609.Yamaguchi and Shibamoto, 1979N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-101610.Yamaguchi and Shibamoto, 1979N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M70.868.Annino and Villalobos, 199931.3 m/0.53 mm/0.54 μm
PackedCarbowax 20M75.895.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m
PackedPEG-2000150.888.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.907.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.915.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000180.900.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000200.903.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCBP-20868.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryDB-Wax861.Umano, Hagi, et al., 1994He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryCarbowax 20M866.Yamaguchi and Shibamoto, 1979N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M867.Yamaguchi and Shibamoto, 1979N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCP Sil 8 CB632.Elmore, Campo, et al., 200260. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryCP Sil 8 CB629.Elmore, Mottram, et al., 200060. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5623.Engel, Baty, et al., 200230. m/0.25 mm/0.25 μm, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB854.Alasalvar, Taylor, et al., 200560. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; Tend: 203. C
CapillarySupelcowax-10857.Elmore, Nisyrios, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryMethyl Silicone100.622.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.626.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone140.629.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone80.620.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryDB-160.620.Shimadzu, 2003, 260. m/0.32 mm/1. μm, He
PackedApieson L120.624.Kurdina, Markovich, et al., 1969not specified, not specified
PackedDC-400150.630.Anderson, 1968Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryVF-5 MS614.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS618.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryMDN-5620.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
CapillaryHP-5633.Jung, Wichmann, et al., 199925. m/0.20 mm/0.33 μm, 50. C @ 3. min, 5. K/min; Tend: 180. C
CapillaryDB-1615.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C
CapillarySF-96618.Donetzhuber, Johansson, et al., 1976Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone619.Farkas, Héberger, et al., 2004Program: not specified
CapillarySE-30636.Vinogradov, 2004Program: not specified
CapillarySPB-1615.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryDB-5624.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
CapillarySPB-1615.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1638.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryDB-1608.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 μm; Program: not specified
CapillaryDB-1612.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 μm; Program: not specified
CapillaryCP Sil 8 CB629.Weller and Wolf, 198940. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
CapillarySE-30627.P'yanova, Zvereva, et al., 1987Column length: 25. m; Column diameter: 0.25 mm; Program: not specified
CapillaryOV-1638.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-Wax60.887.Shimadzu, 2003, 250. m/0.32 mm/1. μm, He

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax829.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySOLGel-Wax854.Johanningsmeier and McFeeters, 201130. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)
CapillaryCarbowax 20M898.Vinogradov, 2004Program: not specified
CapillaryCarbowax 20M872.Ramsey and Flanagan, 1982Program: not specified

References

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

Clegg G.A., 1968
Clegg G.A., Thermodynamics of polymerization of heterocyclic compounds. II. The heat capacity, entropy, enthalpy and free energy of polytetrahydrofuran, Polymer, 1968, 9, 501-511. [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]

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

Scott D.W., 1970
Scott D.W., Tetrahydrofuran: vibrational assignment, chemical thermodynamic properties, and vapor pressure, J. Chem. Thermodyn., 1970, 2, 833-837. [all data]

Hossenlopp I.A., 1981
Hossenlopp I.A., Vapor heat capacities and enthalpies of vaporization of six organic compounds, J. Chem. Thermodyn., 1981, 13, 405-414. [all data]

Hayduk, Laudie, et al., 1973
Hayduk, W.; Laudie, H.; Smith, O.H., Viscosity, Freezing Point, Vapor-Liquid Equilibria, and Other Properties of Aqueous-Tetrahydrofuran Solutions, J. Chem. Eng. Data, 1973, 18, 373-6. [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]

Lebedev, Lityagov, et al., 1979
Lebedev, B.V.; Lityagov, V.Ya.; Krentsina, T.I.; Milov, V.I., Thermodynamic properties of tetrahydrofuran in the range 8-322 K, Zhur. Fiz. Khim., 1979, 53, 264-265. [all data]

Lebedev, Rabinovich, et al., 1978
Lebedev, B.V.; Rabinovich, I.B.; Milov, V.I.; Sladkov, A.M., Thermodynamic properties of tetrahydrofuran from 8 to 322 k polyaddition products with the bis-ethinyl derivatives of the same metals, J. Chem. Thermodyn., 1978, 10, 321-9. [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
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Kobe, Ravicz, et al., 1956
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Hossenlopp and Scott, 1981
Hossenlopp, I.A.; Scott, D.W., Vapor heat capacities and enthalpies of vaporizaiton of six organic compounds, J. Chem. Thermodyn., 1981, 13, 405-414. [all data]

Moiseev and Antonova, 1970
Moiseev, V.D.; Antonova, N.D., Zh. Fiz. Khim., 1970, 44, 11, 2912. [all data]

Cass, Fletcher, et al., 1958
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Loras, Aucejo, et al., 2001
Loras, Sonia; Aucejo, Antonio; Montón, Juan B.; Wisniak, Jaime; Segura, Hugo, Polyazeotropic Behavior in the Binary System 1,1,1,2,3,4,4,5,5,5-Decafluoropentane + Oxolane, J. Chem. Eng. Data, 2001, 46, 6, 1351-1356, https://doi.org/10.1021/je0100793 . [all data]

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Rivenq, 1975
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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]

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Klages and Möhler, 1948
Klages, Friedrich; Möhler, Klement, Über das anomale osmotische Verhalten von Kettenmolekülen, VI. Mitteil.: Bestimmung der Dampfdruckerniedrigung von Polydepsiden, Chem. Ber., 1948, 81, 5, 411-417, https://doi.org/10.1002/cber.19480810512 . [all data]

Cass, Fletcher, et al., 1958, 2
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Springall, H.D.; White, T.R., 281. 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, https://doi.org/10.1039/jr9580001406 . [all data]

Lebedev, Rabinovich, et al., 1978, 2
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Lebedev and Lityagov, 1977
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Acree, 1991
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Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B., Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements, J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016 . [all data]

Grimsrud and Kebarle, 1973
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Lias, Liebman, et al., 1984
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Chowdhury, 1987
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Operti, Tews, et al., 1988
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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]

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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]

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Notes

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