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Propane, 2-methoxy-

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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 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
Deltafgas-252.0 ± 0.96kJ/molCmPilcher, Pell, et al., 1964ALS
Quantity Value Units Method Reference Comment
Deltacgas-2751.1 ± 0.92kJ/molCmPilcher, Pell, et al., 1964Corresponding «DELTA»fgas = -252.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas341.6J/mol*KN/AAndon R.J.L., 1975GT

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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid253.7J/mol*KN/AAndon and Martin, 1975 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
161.9298.15Andon and Martin, 1975T = 12 to 350 K.

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, Kenneth Kroenlein director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil303.9KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Ttriple127.93KN/AWilhoit, Chao, et al., 1985Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple127.93KN/AAndon and Martin, 1975, 2Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple123.06KN/AAndon and Martin, 1975, 2Metastable crystal phase; Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Tc464.5KN/AMajer and Svoboda, 1985 
Tc464.48KN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Pc37.62barN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.04 bar; TRC
Quantity Value Units Method Reference Comment
Deltavap26.78kJ/molN/AMajer and Svoboda, 1985 
Deltavap26.41kJ/molCMajer, Wagner, et al., 1980ALS
Deltavap26.4 ± 0.1kJ/molCMajer, Wagner, et al., 1980AC
Deltavap26.4kJ/molN/AAmbrose, Ellender, et al., 1976AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
26.05303.9N/AMajer and Svoboda, 1985 
28.8265.AStephenson and Malanowski, 1987Based on data from 250. - 325. K.; AC
28.4275.AStephenson and Malanowski, 1987Based on data from 260. - 325. K. See also Ambrose, Ellender, et al., 1976.; 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) beta Tc (K) Reference Comment
298. - 323.42.550.2858464.5Majer and Svoboda, 1985 

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
5.85127.3Domalski and Hearing, 1996AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
5.850127.93crystaline, IliquidAndon and Martin, 1975DH
5.100123.06crystaline, IIliquidAndon and Martin, 1975Metastable crystals.; DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
45.73127.93crystaline, IliquidAndon and Martin, 1975DH
41.44123.06crystaline, IIliquidAndon and Martin, 1975Metastable; DH

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:


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
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)9.45 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)826.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity797.1kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.50PIMcAdoo, Traeger, et al., 1988LL
9.42 ± 0.07EIBowen and Maccoll, 1984LBLHLM
9.42EIHolmes, Fingas, et al., 1981LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H6O+9.69CH4PIMcAdoo, Traeger, et al., 1988LL
C3H7O+9.71CH3PIMcAdoo, Traeger, et al., 1988LL
C3H7O+9.82 ± 0.08CH3EIBowen and Maccoll, 1984LBLHLM
C3H7O+9.82CH3EILossing, 1977LLK
C3H7O+10.3 ± 0.1CH3EITsang and Harrison, 1970RDSH

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.
NIST MS number 333

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References

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

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

Pilcher, Pell, et al., 1964
Pilcher, G.; Pell, A.S.; Coleman, D.J., Measurements of heats of combustion by flame calorimetry. Part 2-Dimethyl ether, methyl ethyl ether, methyl n-propyl ether, methyl isopropyl ether, Trans. Faraday Soc., 1964, 60, 499-505. [all data]

Andon R.J.L., 1975
Andon R.J.L., Thermodynamic properties of organic oxygen compounds. 40. Heat capacity and entropy of six ethers, J. Chem. Thermodyn., 1975, 7, 593-606. [all data]

Andon and Martin, 1975
Andon, R.J.L.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. 40. Heat capacity and entropy of six ethers, J. Chem. Thermodynam., 1975, 7, 593-606. [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]

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]

Andon and Martin, 1975, 2
Andon, R.J.L.; Martin, J.F., Thermodynamic Properties of Organic Oxygen Compounds 40. Heat Capacity and Entropy of Six Ethers, J. Chem. Thermodyn., 1975, 7, 593. [all data]

Ambrose, Broderick, et al., 1974
Ambrose, D.; Broderick, B.E.; Townsend, R., The Critical Temperatures and Pressures of Thirty Organic Compounds, J. Appl. Chem. Biotechnol., 1974, 24, 359. [all data]

Majer, Wagner, et al., 1980
Majer, V.; Wagner, Z.; Svoboda, V.; Cadek, V., Enthalpies of vaporization and cohesive energies for a group of aliphatic ethers, J. Chem. Thermodyn., 1980, 12, 387-391. [all data]

Ambrose, Ellender, et al., 1976
Ambrose, D.; Ellender, J.H.; Sprake, C.H.S.; Townsend, R., Thermodynamic properties of organic oxygen compounds XLIII. Vapour pressures of some ethers, The Journal of Chemical Thermodynamics, 1976, 8, 2, 165-178, https://doi.org/10.1016/0021-9614(76)90090-2 . [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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [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]

McAdoo, Traeger, et al., 1988
McAdoo, D.J.; Traeger, J.C.; Hudson, C.E.; Griffin, L.L., Decompositions of ionized isopropryl methyl ether: Complex-mediated and direct processes in unimolecular dissociations, J. Phys. Chem., 1988, 92, 1524. [all data]

Bowen and Maccoll, 1984
Bowen, R.D.; Maccoll, A., Low energy, low temperature mass spectra, Org. Mass Spectrom., 1984, 19, 379. [all data]

Holmes, Fingas, et al., 1981
Holmes, J.L.; Fingas, M.; Lossing, F.P., Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations, Can. J. Chem., 1981, 59, 80. [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]

Tsang and Harrison, 1970
Tsang, C.W.; Harrison, A.G., Four-centred rearrangements in the mass spectra of aliphatic ethers, Org. Mass Spectrom., 1970, 3, 647. [all data]


Notes

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