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Propane, 2-methyl-2-(1-methylethoxy)-

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Gas phase thermochemistry data

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

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

Quantity Value Units Method Reference Comment
Deltafgas-358. ± 3.kJ/molCcbSmutny and Bondi, 1961Heat of combustion corrected for pressure

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

Quantity Value Units Method Reference Comment
Deltafliquid-393. ± 3.kJ/molCcbSmutny and Bondi, 1961Heat of combustion corrected for pressure
Quantity Value Units Method Reference Comment
Deltacliquid-4648.3 ± 2.8kJ/molCcbSmutny and Bondi, 1961Heat of combustion corrected for pressure; Corresponding «DELTA»fliquid = -392.9 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

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

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
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
Tboil360.8KN/AWeast and Grasselli, 1989BS
Tboil360.7KN/AMajer and Svoboda, 1985 
Tboil360.8KN/AOlson, Hipsher, et al., 1947Uncertainty assigned by TRC = 0.5 K; TRC
Tboil360.8KN/ANorris and Rigby, 1932Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tfus185.08KN/AOlson, Hipsher, et al., 1947Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltavap34.67kJ/molN/AMajer and Svoboda, 1985 
Deltavap36.2kJ/molCGCVerevkin, Krasnykh, et al., 2003See also Verevkin, 2002 and Verevkin, Krasnykh, et al., 2003.; AC
Deltavap34.4 ± 0.6kJ/molEBVarushchenko, Pashchenko, et al., 2002Based on data from 305. - 360. K.; AC
Deltavap34.5 ± 0.2kJ/molCVarushchenko, Pashchenko, et al., 2002See also Dorofeeva, Yungman, et al., 2004.; AC
Deltavap35.1kJ/molVSmutny and Bondi, 1961Heat of combustion corrected for pressure; ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
30.5360.7N/AMajer and Svoboda, 1985 
34.0322.EBKraehenbuehl and Gmehling, 1994Based on data from 307. - 360. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
8.46184.8Varushchenko, Druzhinina, et al., 2001See also Dorofeeva, Yungman, et al., 2004.; 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

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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: 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- + Isopropyl Alcohol = Propane, 2-methyl-2-(1-methylethoxy)-

By formula: C4H8 + C3H8O = C7H16O

Quantity Value Units Method Reference Comment
Deltar-22.9 ± 1.3kJ/molEqkCalderon, Tejero, et al., 1997liquid phase
Deltar-21.7 ± 1.6kJ/molCmSola, Pericas, et al., 1997liquid phase

Gas phase ion energetics 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 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)870.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity841.5kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.20PEAue and Bowers, 1979Vertical value; LLK

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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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 D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 60738

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
CapillaryMethyl Silicone100.644.6Boneva and Toromanova-Petrova, 1994Column length: 50. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone90.643.5Boneva and Toromanova-Petrova, 1994Column length: 50. m; Column diameter: 0.25 mm
PackedSE-30120.665.García-Raso, Martínez-Castro, et al., 1987N2, Supelcoport; Column length: 3. m
PackedApiezon L120.631.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.636.Bogoslovsky, Anvaer, et al., 1978Celite 545

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M120.720.García-Raso, Martínez-Castro, et al., 1987N2, Supelcoport; Column length: 25. m; Column diameter: 0.22 mm

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-560.668.Verevkin, Krasnykh, et al., 200360. m/0.32 mm/0.25 «mu»m, Nitrogen

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

View large format table.

Column type Active phase I Reference Comment
CapillarySqualane665.Chen, 2008Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
PackedCarbowax 20M724.Tsao, 1969Helium, Chromosorb P HMDS, 5. K/min; Column length: 2. m; Tstart: 40. C; Tend: 200. C

References

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), Gas Chromatography, NIST Free Links, Notes

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

Smutny and Bondi, 1961
Smutny, E.J.; Bondi, A., Di-t-butyl ether: Strain energy and physical properties, J. Phys. Chem., 1961, 65, 546-550. [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]

Norris and Rigby, 1932
Norris, J.F.; Rigby, G.W., Reactivity of Atoms and Groups in Organic Compounds XII. The Preparation and Properties of Mixed Aliphatic Ethers with Special Reference to those Containing the Tert-Butyl Radical, J. Am. Chem. Soc., 1932, 54, 2088. [all data]

Verevkin, Krasnykh, et al., 2003
Verevkin, Sergey P.; Krasnykh, Eugen L.; Vasiltsova, Tatiana V.; Heintz, Andreas, Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers, J. Chem. Eng. Data, 2003, 48, 3, 591-599, https://doi.org/10.1021/je0255980 . [all data]

Verevkin, 2002
Verevkin, Sergey P., Improved Benson Increments for the Estimation of Standard Enthalpies of Formation and Enthalpies of Vaporization of Alkyl Ethers, Acetals, Ketals, and Ortho Esters, J. Chem. Eng. Data, 2002, 47, 5, 1071-1097, https://doi.org/10.1021/je020023o . [all data]

Varushchenko, Pashchenko, et al., 2002
Varushchenko, R.M.; Pashchenko, L.L.; Druzhinina, A.I.; Churkina, A.Yu.; Vorob'ev, I.I.; Kravchun, S.N., Zh. Fiz. Khim., 2002, 76, 4, 632. [all data]

Dorofeeva, Yungman, et al., 2004
Dorofeeva, O.V.; Yungman, V.S.; Varushchenko, R.M.; Druzhinina, A.I., Ideal Gas Thermodynamic Properties of Propyl tert-Butyl Ethers from Density Functional Theory Results Combined with Experimental Data, International Journal of Thermophysics, 2004, 25, 4, 1097-1113, https://doi.org/10.1023/B:IJOT.0000038503.77644.a4 . [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]

Varushchenko, Druzhinina, et al., 2001
Varushchenko, R.M.; Druzhinina, A.I.; Churkina, A.Yu.; Zhi, C.-T., Zh. Fiz. Khim., 2001, 75, 8, 1351. [all data]

Calderon, Tejero, et al., 1997
Calderon, A.; Tejero, J.; Izuierdo, J.F.; Iborra, M.; Cunill, F., Equilibrium Constants for the liquid-phase synthesis of isopropyl tert-butyl ether from 2-propanol and isobutene, Ind. Eng. Chem. Res., 1997, 36, 896-902. [all data]

Sola, Pericas, et al., 1997
Sola, L.; Pericas, M.A.; Cunill, F.; Izquierdo, J.F., A comparative thermodynamic and kinetic study of the reaction between olefins and light alcohols leading to branced ethers. Reaction calorimetry study of the formation of tert-amyl methyl ether (TAME) and tert-butyl isopropyl ether (IPTBE), Ind. Eng. Chem. Res., 1997, 36, 2012-2018. [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]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]

Boneva and Toromanova-Petrova, 1994
Boneva, S.; Toromanova-Petrova, P., Capillary gas chromatography of C1-C4 alkyl tert-butyl ethers, Chromatographia, 1994, 39, 3/4, 224-227, https://doi.org/10.1007/BF02274504 . [all data]

García-Raso, Martínez-Castro, et al., 1987
García-Raso, A.; Martínez-Castro, I.; Páez, M.I.; Sanz, J.; García-Raso, J.; Saura-Calixto, F., Gas Chromatographic Behaviour of Carbohydrate Trimethylsilyl Ethers. I. Aldopentoses, J. Chromatogr., 1987, 398, 9-20, https://doi.org/10.1016/S0021-9673(01)96491-X . [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]

Chen, 2008
Chen, H.-F., Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression, Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003 . [all data]

Tsao, 1969
Tsao, J.C.Y., Prelimivary reports on structural study via mercury-sensitized photolysis and gas chromatography, J. Chin. Chem. Soc., 1969, 16, 4, 152-163. [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, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References