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Di-n-propyl ether

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Gas phase thermochemistry data

Go To: Top, 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 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-293. ± 2.kJ/molCcbColomina, Pell, et al., 1965ALS
Deltafgas-299.kJ/molCcbMurrin and Goldhagen, 1957ALS
Quantity Value Units Method Reference Comment
gas422.5J/mol*KN/AAndon R.J.L., 1975GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
182.95360.00Andon R.J.L., 1975GT
190.77380.01
198.45399.98
209.91430.05
221.05460.01

Condensed phase thermochemistry data

Go To: Top, Gas 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 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-328.8 ± 0.88kJ/molCcbColomina, Pell, et al., 1965ALS
Deltafliquid-333.1 ± 2.1kJ/molCcbMurrin and Goldhagen, 1957ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4033.1 ± 0.79kJ/molCcbColomina, Pell, et al., 1965Corresponding «DELTA»fliquid = -328.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4028.9 ± 2.1kJ/molCcbMurrin and Goldhagen, 1957Corresponding «DELTA»fliquid = -333.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid323.9J/mol*KN/AAndon, Counsell, et al., 1975DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
221.45298.15Kimura, Treszczanowicz, et al., 1983DH
221.6298.15Andon, Counsell, et al., 1975T = 10 to 330 K.; 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, 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
Tboil363. ± 1.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus149.95KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Ttriple149.4KN/AAndon, Counsell, et al., 1975, 2Metastable crystal phase; Uncertainty assigned by TRC = 0.1 K; TRC
Ttriple158.36KN/AAndon, Counsell, et al., 1975, 2Uncertainty assigned by TRC = 0.06 K; TRC
Quantity Value Units Method Reference Comment
Tc530.6KN/AMajer and Svoboda, 1985 
Tc530.60KN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Pc30.28barN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.06 bar; TRC
Quantity Value Units Method Reference Comment
Deltavap35.79kJ/molN/AMajer and Svoboda, 1985 
Deltavap35.68kJ/molCMajer, Wagner, et al., 1980ALS
Deltavap35.7 ± 0.1kJ/molCMajer, Wagner, et al., 1980AC
Deltavap36.5 ± 1.3kJ/molVColomina, Pell, et al., 1965Heat of formation derived by Cox and Pilcher, 1970; ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
31.31363.1N/AMajer and Svoboda, 1985 
31.274363.22N/AAndon, Counsell, et al., 1975P = 101.30 kPa; DH
34.8323.EBAntosik, Fras, et al., 2002Based on data from 308. - 338. K.; AC
32.2400.AStephenson and Malanowski, 1987Based on data from 385. - 467. K.; AC
32.4480.AStephenson and Malanowski, 1987Based on data from 465. - 530. K.; AC
35.6307.AStephenson and Malanowski, 1987Based on data from 292. - 389. K. See also Ambrose, Ellender, et al., 1976.; AC
34.6327.A,EBStephenson and Malanowski, 1987Based on data from 312. - 371. K. See also Meyer and Hotz, 1973.; AC
31.4363.N/AAmbrose, Ellender, et al., 1976AC
35.1315.EBCidlinský and Polák, 1969Based on data from 300. - 362. K.; AC
34.5360.N/ALapidus and Nisel'son, 1968Based on data from 340. - 379. K.; 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. - 363.53.410.2907530.6Majer and Svoboda, 1985 

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
86.10363.22Andon, Counsell, et al., 1975P; DH

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
312.9 - 371.334.01971 ± 0.000461227.47 ± 0.82-57.449 ± 0.095Meyer and Hotz, 1973
299.74 - 361.804.069511254.781-54.33Cidlinský and Polák, 1969

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
10.77158.4Domalski and Hearing, 1996AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
9.540149.40crystaline, IliquidAndon, Counsell, et al., 1975DH
10.770158.36crystaline, IIliquidAndon, Counsell, et al., 1975DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
63.86149.40crystaline, IliquidAndon, Counsell, et al., 1975DH
68.01158.36crystaline, IIliquidAndon, Counsell, et al., 1975DH

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, 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+ + Di-n-propyl ether = (C6H15O+ bullet Di-n-propyl ether)

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

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

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Deltar129.kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; switching reaction(C2H5)COH+((C2H5)2CO
Deltar125.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(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
Deltar167.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; switching reaction(C2H5)COH+((C2H5)2CO
Deltar133.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(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
Deltar85.4kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986

C5H6N+ + Di-n-propyl ether = (C5H6N+ bullet Di-n-propyl ether)

By formula: C5H6N+ + C6H14O = (C5H6N+ bullet C6H14O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar98.3kJ/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar130.J/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
33.500.PHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated

C6H14N+ + Di-n-propyl ether = (C6H14N+ bullet Di-n-propyl ether)

By formula: C6H14N+ + C6H14O = (C6H14N+ bullet C6H14O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar106.kJ/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Deltar131.J/mol*KPHPMSMeot-Ner, 1984gas phase

CH6N+ + Di-n-propyl ether = (CH6N+ bullet Di-n-propyl ether)

By formula: CH6N+ + C6H14O = (CH6N+ bullet C6H14O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar100.kJ/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Deltar112.J/mol*KPHPMSMeot-Ner, 1984gas phase

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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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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, 1994
NIST MS number 134138

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, 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]

Murrin and Goldhagen, 1957
Murrin, J.W.; Goldhagen, S., Determination of the C-O bond energy from the heats of combustion of four aliphatic ethers, NAVORD Report No. 5491, U.S. Naval Powder Factory Res. & Dev. Dept., 1957, 1-14. [all data]

Andon R.J.L., 1975
Andon R.J.L., Thermodynamic properties of organic oxygen compounds. 39. Heat capacity of n-propyl ether, J. Chem. Thermodyn., 1975, 7, 587-592. [all data]

Andon, Counsell, et al., 1975
Andon, R.J.L.; Counsell, J.F.; Lee, D.A.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. 39. Heat capacity of n-propyl ether, J. Chem. Thermodynam., 1975, 7, 587-592. [all data]

Kimura, Treszczanowicz, et al., 1983
Kimura, F.; Treszczanowicz, A.J.; Halpin, C.J.; Benson, G.C., Excess volumes and ultrasonic speeds for (di-n-propylether + n-heptane), J. Chem. Thermodynam., 1983, 15, 503-510. [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Andon, Counsell, et al., 1975, 2
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F., Thermodynamic properties of organic oxygen compounds: 39 heat capacity of n-propyl ether, J. Chem. Thermodyn., 1975, 7, 587. [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]

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]

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

Antosik, Fras, et al., 2002
Antosik, Maria; Fras, Zbigniew; Malanowski, Stanislaw K., Vapor-Liquid Equilibrium in 2-Ethoxyethanol + Valeraldehyde and + Propyl Ether at 313.15 to 333.15 K, J. Chem. Eng. Data, 2002, 47, 4, 757-760, https://doi.org/10.1021/je000275u . [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]

Meyer and Hotz, 1973
Meyer, Edwin F.; Hotz, Roger D., High-precision vapor-pressure data for eight organic compounds, J. Chem. Eng. Data, 1973, 18, 4, 359-362, https://doi.org/10.1021/je60059a008 . [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]

Lapidus and Nisel'son, 1968
Lapidus, I.I.; Nisel'son, L.A., Russ. J. Phys. Chem., 1968, 42, 6, 733. [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]

Meot-Ner (Mautner), Sieck, et al., 1994
Meot-Ner (Mautner), M.; Sieck, L.W.; Liebman, J.F.; Scheiner, S.; Duan, X., The Ionic Hydrogen Bond. 5. Polydentate and Solvent-Bridged Structures. Complexing of the Proton and the Hydronium Ions by Polyethers, J. Am. Chem. Soc., 1994, 116, 17, 7848, https://doi.org/10.1021/ja00096a047 . [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]

Meot-Ner, 1984
Meot-Ner, (Mautner)M., The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects, J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015 . [all data]


Notes

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