Diisopropyl ether

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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:
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-318. ± 3.kJ/molCcbColomina, Pell, et al., 1965ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
182.47360.04Andon R.J.L., 1974GT
191.01380.01
199.33399.98
209.60424.98
219.11449.98

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
Δfliquid-351.5 ± 1.4kJ/molCcbColomina, Pell, et al., 1965ALS
Quantity Value Units Method Reference Comment
Δcliquid-4010.4 ± 1.3kJ/molCcbColomina, Pell, et al., 1965Corresponding Δfliquid = -351.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid304.6J/mol*KN/AAndon, Counsell, et al., 1974DH
liquid294.6J/mol*KN/AParks, Huffman, et al., 1933Extrapolation below 90 K, 61.30 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
216.74298.15Grolier, Roux-Desgranges, et al., 1993DH
216.1298.15Andon, Counsell, et al., 1974T = 10 to 340 K.; DH
216.31293.1Parks, Huffman, et al., 1933T = 92 to 213 K. Value is unsmoothed experimental datum.; DH

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
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
Tboil341.4 ± 0.7KAVGN/AAverage of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus187.26KN/ADreisbach and Martin, 1949Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Ttriple187.77KN/AAndon, Counsell, et al., 1974, 2Uncertainty assigned by TRC = 0.06 K; TRC
Ttriple186.3KN/AParks, Huffman, et al., 1933, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc500.3KN/AMajer and Svoboda, 1985 
Tc499.6KN/ADurig and Li, 1975Uncertainty assigned by TRC = 0.3 K; TRC
Tc499.6KN/AYoung, 1975Uncertainty assigned by TRC = 0.3 K; TRC
Tc500.32KN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.1 K; TRC
Tc500.1KN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Pc28.32barN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.06 bar; TRC
Pc28.751barN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.1378 bar; TRC
Quantity Value Units Method Reference Comment
Vc0.386l/molN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.005 l/mol; TRC
Quantity Value Units Method Reference Comment
Δvap32.26kJ/molN/AMajer and Svoboda, 1985 
Δvap32.7 ± 0.5kJ/molEBEfimova, Pashchenko, et al., 2007Based on data from 285. to 365. K.; AC
Δvap32.12kJ/molCMajer, Wagner, et al., 1980ALS
Δvap32.1 ± 0.1kJ/molCMajer, Wagner, et al., 1980AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
29.1341.5N/AMajer and Svoboda, 1985 
33.0293.N/AGarriga, Andrés, et al., 1999Based on data from 278. to 323. K.; AC
31.1322.N/AMontón, de la Torre, et al., 1999Based on data from 307. to 349. K.; AC
29.9375.AStephenson and Malanowski, 1987Based on data from 360. to 440. K.; AC
29.5451.AStephenson and Malanowski, 1987Based on data from 436. to 500. K.; AC
32.6299.AStephenson and Malanowski, 1987Based on data from 284. to 365. K. See also Ambrose, Ellender, et al., 1976.; AC
32.1311.A,EBStephenson and Malanowski, 1987Based on data from 296. to 342. K. See also Cidlinský and Polák, 1969.; AC
29.2341.N/AAmbrose, Ellender, et al., 1976Based on data from 284. to 365. K.; AC
30.1336.N/ANisel'son and Lapivus, 1965Based on data from 321. to 350. K. See also Dykyj, 1972.; AC
33.2288.N/ANicolini and Laffitte, 1949Based on data from 273. to 333. K. See also Boublik, Fried, et al., 1984.; 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
298. to 358.50.440.3006500.3Majer 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
296.7 to 340.363.966491135.034-54.92Cidlinský and Polák, 1969

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
12.035187.77Andon, Counsell, et al., 1974DH
12.05187.8Andon, Counsell, et al., 1974, 2AC
11.025186.3Parks, Huffman, et al., 1933DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
64.09187.77Andon, Counsell, et al., 1974DH
59.18186.3Parks, Huffman, et al., 1933DH

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, Henry's Law data, Gas phase ion energetics data, Ion clustering 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

C6H15O+ + Diisopropyl ether = (C6H15O+ • Diisopropyl ether)

By formula: C6H15O+ + C6H14O = (C6H15O+ • C6H14O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Δr111.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OOH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Quantity Value Units Method Reference Comment
Δr136.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OOH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Quantity Value Units Method Reference Comment
Δr70.7kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OOH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.49 MN/A 
0.57 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.10 VN/A 
0.099 VN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering 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
L - Sharon G. Lias

Data compiled as indicated in comments:
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)9.20 ± 0.05eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)855.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity828.1kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.16 ± 0.05EIWilliams and Hamill, 1968RDSH
9.20 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
9.32PEAue and Bowers, 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H7+11.3 ± 0.1?EIWilliams and Hamill, 1968RDSH
C3H7O+11.59 ± 0.05C3H7EIWilliams and Hamill, 1968RDSH

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C6H15O+ + Diisopropyl ether = (C6H15O+ • Diisopropyl ether)

By formula: C6H15O+ + C6H14O = (C6H15O+ • C6H14O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Δr111.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OOH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Quantity Value Units Method Reference Comment
Δr136.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OOH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Quantity Value Units Method Reference Comment
Δr70.7kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OOH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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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)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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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Mass spectrum
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Additional Data

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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-5539
NIST MS number 229501

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, Henry's Law data, Gas phase ion energetics data, Ion clustering 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.

Colomina, Pell, et al., 1965
Colomina, M.; Pell, A.S.; Skinner, H.A.; Coleman, D.J., Heats of combustion of four dialkylethers, Trans. Faraday Soc., 1965, 61, 2641. [all data]

Andon R.J.L., 1974
Andon R.J.L., Thermodynamic properties of organic oxygen compounds. Part 36. Heat capacity of isopropyl ether, J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1914-1917. [all data]

Andon, Counsell, et al., 1974
Andon, R.J.L.; Counsell, J.F.; Lee, D.A.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part 36. Heat capacity of isopropyl ether, J. Chem. Soc. Faraday Trans., 1974, I 70, 1914-1917. [all data]

Parks, Huffman, et al., 1933
Parks, G.S.; Huffman, H.M.; Barmore, M., Thermal data on organic compounds. XI. The heat capacities, entropies and free energies of ten compounds containing oxygen or nitrogen. J. Am. Chem. Soc., 1933, 55, 2733-2740. [all data]

Grolier, Roux-Desgranges, et al., 1993
Grolier, J.-P.E.; Roux-Desgranges, G.; Berkane, M.; Jimenez, E.; Wilhelm, E., Heat capacities and densities of mixtures of very polar substances 2. Mixtures containing N,N-dimethylformamide, J. Chem. Thermodynam., 1993, 25(1), 41-50. [all data]

Dreisbach and Martin, 1949
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 2875-8. [all data]

Andon, Counsell, et al., 1974, 2
Andon, Richard J.L.; Counsell, Jack F.; Lee, Derek A.; Martin, John F., Thermodynamic properties of organic oxygen compounds. Part 36.---Heat capacity of isopropyl ether, J. Chem. Soc., Faraday Trans. 1, 1974, 70, 0, 1914, https://doi.org/10.1039/f19747001914 . [all data]

Parks, Huffman, et al., 1933, 2
Parks, G.S.; Huffman, H.M.; Barmore, M., Thermal Data on Organic Compounds. XI. The Heat Capacities, Entropies and Free Energies of Ten Compounds Containing Oxygen or Nitrogen, J. Am. Chem. Soc., 1933, 55, 7, 2733, https://doi.org/10.1021/ja01334a016 . [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]

Durig and Li, 1975
Durig, J.R.; Li, Y.S., Raman Spectra of Gases XVII Internal Rotational Motion in Ethylamine and Ethylamine-d2, J. Chem. Phys., 1975, 63, 4110. [all data]

Young, 1975
Young, C.L., Gas-liquid critical properties. Diisopropyl ether-n-hexane system, Int. DATA Ser., Sel. Data Mixtures, Ser. A, 1975, No. 2, 159. [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]

Kobe, Ravicz, et al., 1956
Kobe, K.A.; Ravicz, A.E.; Vohra, S.P., Critical Properties and Vapor Pressures of Some Ethers and Heterocyclic Compounds, J. Chem. Eng. Data, 1956, 1, 50. [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]

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]

Garriga, Andrés, et al., 1999
Garriga, Rosa; Andrés, Ana Cristina; Pérez, Pascual; Gracia, Mariano, Vapor Pressures at Several Temperatures and Excess Functions at 298.15 K of Butanone with Di- n -propyl Ether or Diisopropyl Ether, J. Chem. Eng. Data, 1999, 44, 2, 296-302, https://doi.org/10.1021/je980179h . [all data]

Montón, de la Torre, et al., 1999
Montón, Juan B.; de la Torre, Javier; Burguet, M.C.; Muñoz, Rosa; Loras, Sonia, Isobaric Vapor-Liquid Equilibrium in the Systems 2,3-Dimethylpentane + Methyl 1,1-Dimethylethyl Ether, + Diisopropyl Ether and + Methyl 1,1-Dimethylpropyl Ether, J. Chem. Eng. Data, 1999, 44, 6, 1158-1162, https://doi.org/10.1021/je990110p . [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]

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]

Cidlinský and Polák, 1969
Cidlinský, J.; Polák, J., Saturated vapour pressures of some ethers, Collect. Czech. Chem. Commun., 1969, 34, 4, 1317-1321, https://doi.org/10.1135/cccc19691317 . [all data]

Nisel'son and Lapivus, 1965
Nisel'son, L.A.; Lapivus, I.I., Russ. J. Phys. Chem., 1965, 39, 931. [all data]

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

Nicolini and Laffitte, 1949
Nicolini, E.; Laffitte, P., Compt. Rend., 1949, 229, 757. [all data]

Boublik, Fried, et al., 1984
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]

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
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [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]

Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H., Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer, J. Chem. Phys., 1968, 49, 4467. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [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]


Notes

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