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Propane, 2-ethoxy-2-methyl-

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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, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

Data compiled 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-317.8kJ/molN/ASharonov, Rozhnov, et al., 1995Value computed using «DELTA»fHliquid° value of -350.8±2.6 kj/mol from Sharonov, Rozhnov, et al., 1995 and «DELTA»vapH° value of 32.97 kj/mol from missing citation.; DRB
Deltafgas-314. ± 2.kJ/molEqkIborra, Izquierdo, et al., 1989GC; ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
149.33300.Dunphy M.P., 1991These values were calculated using estimated structural parameters and vibrational frequencies. According to estimation by difference method [ Dorofeeva O.V., 1997] the uncertainty of S(298.15 K) is evaluated to be 5-8 J/mol*K.; GT
193.03400.
232.27500.
264.66600.
291.26700.
313.57800.
332.53900.
348.941000.
363.071100.
375.411200.
386.181300.
395.621400.
403.881500.
411.121600.
417.491700.
423.081800.
428.021900.
432.442000.
436.362100.
439.842200.
442.952300.
445.742400.
448.292500.

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-350.8 ± 2.6kJ/molEqkSharonov, Rozhnov, et al., 1995ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
218.298.Evans and Edlund, 1936DH

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:
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

Quantity Value Units Method Reference Comment
Tboil346.1KN/AFandary, Aljima, et al., 1999Uncertainty assigned by TRC = 0.5 K; TRC
Tboil346.3KN/AWeast and Grasselli, 1989BS
Tboil345.6KN/AMajer and Svoboda, 1985 
Tboil345.9KN/AOlson, Hipsher, et al., 1947Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tfus179.15KN/AOlson, Hipsher, et al., 1947Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltavap32.97kJ/molN/AMajer and Svoboda, 1985 
Deltavap33.1 ± 0.4kJ/molEBEfimova, Pashchenko, et al., 2007Based on data from 303. - 345. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
29.76345.6N/AMajer and Svoboda, 1985 
32.1328.N/ASapei, Zaytseva, et al., 2007Based on data from 313. - 346. K.; AC
31.9328.N/AKim, Keskinen, et al., 2004Based on data from 313. - 345. K.; AC
32.1322.N/AReich, Cartes, et al., 2000Based on data from 307. - 346. K.; AC
32.2321.EBKraehenbuehl and Gmehling, 1994Based on data from 306. - 345. K.; AC
33.5299.AStephenson and Malanowski, 1987Based on data from 284. - 346. K.; AC
35.3263.AStephenson and Malanowski, 1987Based on data from 248. - 350. K.; AC
31.2355.AStephenson and Malanowski, 1987Based on data from 340. - 407. K.; AC

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, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

1-Propene, 2-methyl- + Ethanol = Propane, 2-ethoxy-2-methyl-

By formula: C4H8 + C2H6O = C6H14O

Quantity Value Units Method Reference Comment
Deltar-32.0kJ/molCmSola, Pericas, et al., 1995liquid phase
Deltar-32.0kJ/molKinSola, Pericas, et al., 1995liquid phase
Deltar-62. ± 2.kJ/molEqkIborra, Izquierdo, et al., 1989gas phase; GC

Propane, 2-ethoxy-2-methyl- = 1-Propene, 2-methyl- + Ethanol

By formula: C6H14O = C4H8 + C2H6O

Quantity Value Units Method Reference Comment
Deltar35.5 ± 1.9kJ/molEqkSharonov, Rozhnov, et al., 1995liquid phase

Gas phase ion energetics data

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

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)856.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity826.9kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.39 ± 0.015PEKlessinger, Asmus, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H11O+9.24CH3EILossing, 1977LLK

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

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

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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 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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118184

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.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes

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

Sharonov, Rozhnov, et al., 1995
Sharonov, K.G.; Rozhnov, A.M.; Korol'kov, A.V.; Karaseva, S.Y., Enthalpies of formation of 2-methyl-2-ethoxypropane and 2-ethyl-2-ethoxypropane from equilibrium measurements, J. Chem. Thermodyn., 1995, 27, 751-753. [all data]

Iborra, Izquierdo, et al., 1989
Iborra, M.; Izquierdo, J.F.; Tejero, J.; Cunill, F., Equilibrium constant for ethyl tert-butyl ether vapor-phase synthesis, J. Chem. Eng. Data, 1989, 34, 1-5. [all data]

Dunphy M.P., 1991
Dunphy M.P., Preliminary observations on the high temperature oxidation of ethyl tert-butyl ether, Int. J. Chem. Kinet., 1991, 23, 553-558. [all data]

Dorofeeva O.V., 1997
Dorofeeva O.V., Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]

Evans and Edlund, 1936
Evans, T.W.; Edlund, K.R., Tertiary alkyl ethers preparation and properties, Ind. Eng. Chem., 1936, 28, 1186-1188. [all data]

Fandary, Aljima, et al., 1999
Fandary, M.S.H.; Aljima, A.S.; Al-Kandary, J.A., Liquid-Liquid Equilibria for the System Water + Ethanol + Ethyl tert-Butyl Ether, J. Chem. Eng. Data, 1999, 44, 1129-31. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]

Olson, Hipsher, et al., 1947
Olson, W.T.; Hipsher, H.F.; Buess, C.M.; Goodman, I.A.; Hart, I.; Lamneck, J.H.; Gibbons, L.C., The Synthesis and Purification of Ethers, J. Am. Chem. Soc., 1947, 69, 2451-4. [all data]

Efimova, Pashchenko, et al., 2007
Efimova, A.A.; Pashchenko, L.L.; Varushchenko, R.M.; Krasnyh, E.; Levanova, S.V., The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether, The Journal of Chemical Thermodynamics, 2007, 39, 1, 142-147, https://doi.org/10.1016/j.jct.2006.05.007 . [all data]

Sapei, Zaytseva, et al., 2007
Sapei, Erlin; Zaytseva, Anna; Uusi-Kyyny, Petri; Keskinen, Kari I.; Aittamaa, Juhani, Vapor--liquid equilibrium for binary system of diethyl sulfide+cyclohexane at 353.15 and 343.15K and diethyl sulfide+2-ethoxy-2-methylpropane at 343.15 and 333.15K, Fluid Phase Equilibria, 2007, 252, 1-2, 130-136, https://doi.org/10.1016/j.fluid.2006.12.015 . [all data]

Kim, Keskinen, et al., 2004
Kim, Younghun; Keskinen, Kari I.; Aittamaa, Juhani, Vapor-Liquid Equilibrium for Binary Systems 2-Propanol + 2-Ethoxy-2-methylpropane and Ethyl Ethanoate + 2-Ethoxy-2-methylpropane at 333 K and 2-Propanone + 2-Ethoxy-2-methylpropane at 323 K, J. Chem. Eng. Data, 2004, 49, 5, 1273-1278, https://doi.org/10.1021/je0342421 . [all data]

Reich, Cartes, et al., 2000
Reich, Ricardo; Cartes, Marcela; Segura, Hugo; Wisniak, Jaime, Isobaric Vapor-Liquid Equilibria in the Systems Ethyl 1,1-Dimethylethyl Ether + Hexane and + Heptane, Physics and Chemistry of Liquids, 2000, 38, 2, 217-232, https://doi.org/10.1080/00319100008030271 . [all data]

Kraehenbuehl and Gmehling, 1994
Kraehenbuehl, M.A.; Gmehling, J., Vapor Pressures of Methyl tert-Butyl Ether, Ethyl tert-Butyl Ether, Isopropyl tert-Butyl Ether, tert-Amyl Methyl Ether, and tert-Amyl Ethyl Ether, J. Chem. Eng. Data, 1994, 39, 4, 759-762, https://doi.org/10.1021/je00016a026 . [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]

Sola, Pericas, et al., 1995
Sola, L.; Pericas, M.A.; Cunill, F.; Tejero, J., Thermodynamic and kinetic studies of the liquid phase synthesis of tert-butyl ethyl ether using a reaction calorimeter, Ind. Eng. Chem. Res., 1995, 34, 3718-3725. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Klessinger, Asmus, et al., 1975
Klessinger, M.; Asmus, P.; Kraatz, U., Photoelektronenspektren organischer verbindungen-VII, Tetrahedron, 1975, 31, 517. [all data]

Lossing, 1977
Lossing, F.P., Heats of formation of some isomeric [CnH2n+1]+ ions. Substitutional effects on ion stability, J. Am. Chem. Soc., 1977, 99, 7526. [all data]


Notes

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