Tetrahydropyran

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Gas phase thermochemistry data

Go To: Top, Phase change data, IR Spectrum, 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 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-223.8 ± 1.0kJ/molCmPell and Pilcher, 1965ALS
Δfgas-220. ± 3.kJ/molCcbSnelson and Skinner, 1961ALS
Δfgas-223.4 ± 1.5kJ/molCcbCass, Fletcher, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -212. kJ/mol; ALS
Quantity Value Units Method Reference Comment
Δcgas-3173.3 ± 0.96kJ/molCmPell and Pilcher, 1965Corresponding Δfgas = -223.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
33.9050.Dorofeeva O.V., 1992p=1 bar. Selected values are in close agreement with those calculated by [ Vedal D., 1975].; GT
41.62100.
53.05150.
66.28200.
90.06273.15
99.1 ± 3.0298.15
99.82300.
137.09400.
171.01500.
199.70600.
223.66700.
243.80800.
260.83900.
275.321000.
287.681100.
298.261200.
307.341300.
315.161400.
321.921500.

Phase change data

Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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 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.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil361.0 ± 0.7KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus224.KN/AGuieu, Carbonnel, et al., 1985Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC
Tfus224.15KN/ABrooks and Pilcher, 1959Uncertainty assigned by TRC = 1. K; TRC
Tfus223.95KN/AAnonymous, 1942Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc572.2KN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Pc47.70barN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.1418 bar; TRC
Quantity Value Units Method Reference Comment
ρc3.8124mol/lN/AKobe and Mathews, 1970Uncertainty assigned by TRC = 0.0056 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap34.67kJ/molN/AMajer and Svoboda, 1985 
Δvap38.2 ± 1.1kJ/molDSCRojas-Aguilar, Ginez-Carbajal, et al., 2005AC
Δvap35.0kJ/molN/ASnelson and Skinner, 1961DRB
Δvap34.9kJ/molVCass, Fletcher, et al., 1958ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
31.17361.N/AMajer and Svoboda, 1985 
36.301.N/ARodríguez, Giner, et al., 2006Based on data from 286. to 361. K.; AC
33.2350.N/ARodriguez, Artigas, et al., 2000Based on data from 335. to 412. K.; AC
35.0288.AStephenson and Malanowski, 1987Based on data from 273. to 362. K.; AC
35.0281.N/ADykyj, 1972Based on data from 273. to 288. K. See also Cass, Fletcher, et al., 1958, 2.; AC
36.293.VSkuratov, Strepikheev, et al., 1957Combustion at 293 K; ALS

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:


IR Spectrum

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

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

Gas Phase Spectrum

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

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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

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

Spectrum

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Mass spectrum
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Additional Data

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

Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-1046
NIST MS number 229215

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

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

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L120.709.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.729.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L130.714.Bogoslovsky, Anvaer, et al., 1978 
PackedApiezon L170.720.Jonas, Janák, et al., 1966H2
PackedApiezon L170.740.Jonas, Janák, et al., 1966H2
PackedApiezon L170.740.Jonas, Kratochvíl, et al., 1966Column length: 2. m
PackedApiezon L130.714.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L70.697.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedPEG-2000150.972.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.988.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.1010.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000180.969.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000200.965.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedApieson L120.736.Kurdina, Markovich, et al., 1969not specified, not specified
PackedApieson L120.714.Kurdina, Markovich, et al., 1969not specified, not specified
PackedApieson L120.714.Kurdina, Markovich, et al., 1969not specified, not specified

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

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone689.Farkas, Héberger, et al., 2004Program: not specified
CapillarySE-30690.Vinogradov, 2004Program: not specified
CapillaryMethyl Silicone689.Zenkevich, 1998Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M930.Vinogradov, 2004Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.930.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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]

Snelson and Skinner, 1961
Snelson, A.; Skinner, H.A., Heats of combustion: sec-propanol, 1,4-dioxan, 1,3-dioxan and tetrahydropyran, Trans. Faraday Soc., 1961, 57, 2125-2131. [all data]

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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Dorofeeva O.V., 1992
Dorofeeva O.V., Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 2. Six-membered, seven-membered and eight-membered rings, Thermochim. Acta, 1992, 200, 121-150. [all data]

Vedal D., 1975
Vedal D., Vibrational spectra of pentamethylene sulfide and selenide, Spectrochim. Acta, 1975, A31, 355-372. [all data]

Guieu, Carbonnel, et al., 1985
Guieu, R.; Carbonnel, L.; Kehiaian, H.V., Solutions solides organiques I. Etude des diagrammes de phases des systemes oxanne ou 1,4-dioxanne + cyclohexane, Bull. Soc. Chim. Fr., 1985, 1985, 709. [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]

Anonymous, 1942
Anonymous, R., , Am. Pet. Inst. Res. Proj. 6, Natl. Bur. Stand., 1942. [all data]

Kobe and Mathews, 1970
Kobe, K.A.; Mathews, J.F., Critical Properties and Vapor Pressures of Some Organic Nitrogen and Oxygen Compounds, J. Chem. Eng. Data, 1970, 15, 182. [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]

Rojas-Aguilar, Ginez-Carbajal, et al., 2005
Rojas-Aguilar, A.; Ginez-Carbajal, F.; Orozco-Guareno, E.; Flores-Segura, H., Measurement of enthalpies of vaporization of volatile heterocyclic compounds by DSC, J Therm Anal Calorim, 2005, 79, 1, 95-100, https://doi.org/10.1007/s10973-004-0568-3 . [all data]

Rodríguez, Giner, et al., 2006
Rodríguez, S.; Giner, B.; Haro, M.; Martín, S.; Artigas, H., Isobaric vapour--liquid equilibrium for the binary systems formed by a cyclic ether and bromocyclohexane at 40.0 and 101.3 kPa, Physics and Chemistry of Liquids, 2006, 44, 3, 275-285, https://doi.org/10.1080/00319100600574168 . [all data]

Rodriguez, Artigas, et al., 2000
Rodriguez, S.; Artigas, H.; Lafuente, C.; Mainar, A.M.; Royo, F.M., Isobaric vapour--liquid equilibrium of binary mixtures of some cyclic ethers with chlorocyclohexane at 40.0 and 101.3 kPa, Thermochimica Acta, 2000, 362, 1-2, 153-160, https://doi.org/10.1016/S0040-6031(00)00580-3 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Dykyj, 1972
Dykyj, J., Petrochemia, 1972, 12, 1, 13. [all data]

Cass, Fletcher, et al., 1958, 2
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Quincey, P.G.; Springall, H.D., 193. Heats of combustion and molecular structure. Part IV. Aliphatic nitroalkanes and nitric esters, J. Chem. Soc., 1958, 958, https://doi.org/10.1039/jr9580000958 . [all data]

Skuratov, Strepikheev, et al., 1957
Skuratov, S.M.; Strepikheev, A.A.; Kozina, M.P., About the reaction activity of five and six-membered heterocyclic compounds, Dokl. Akad. Nauk SSSR, 1957, 117, 452-454. [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Jonas, Janák, et al., 1966
Jonas, J.; Janák, J.; Kratochvíl, M., Structural investigations with the aid of Kovats retention index system on one (nonpolar) stationary phase, J. Gas Chromatogr., 1966, 4, 9, 332-335, https://doi.org/10.1093/chromsci/4.9.332 . [all data]

Jonas, Kratochvíl, et al., 1966
Jonas, J.; Kratochvíl, M.; Gross, H.; Janák, J., Über α-halogenäther XXV. Verwendung des Kovatsschen retentionsiondexsystems zur identifizierung von acetalen der tetrahydropyranreihe, Collect. Czech. Chem. Commun., 1966, 31, 6, 2399-2409, https://doi.org/10.1135/cccc19662399 . [all data]

Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745 . [all data]

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

Kurdina, Markovich, et al., 1969
Kurdina, Z.G.; Markovich, V.E.; Sakharov, V.M., Gas chromatography of cyclic O-containing compounds in Gas chromatography, Issue # 10, NIITEKhim, Moscow, 1969, 128-133. [all data]

Farkas, Héberger, et al., 2004
Farkas, O.; Héberger, K.; Zenkevich, I.G., Quantitative structure-retention relationships. XIV. Prediction of gas chromatographic retention indices for saturated O-, N-, and S-heterocyclic compounds, Chemom. Intell. Lab. Syst., 2004, 72, 2, 173-184, https://doi.org/10.1016/j.chemolab.2004.01.012 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Zenkevich, 1998
Zenkevich, I.G., Reciprocally Unambiguous Conformity Between GC Retention Indices and Boiling Points within Two- and Multidimensional Taxonomic Groups of Organic Compounds, J. Hi. Res. Chromatogr., 1998, 21, 10, 565-568, https://doi.org/10.1002/(SICI)1521-4168(19981001)21:10<565::AID-JHRC565>3.0.CO;2-6 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References