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2,5,8,11-Tetraoxadodecane

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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
liquid492.9J/mol*KN/ABeaumont, Clegg, et al., 1966Extrapolation below 90 K, 103.8 J/mol*K.

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
367.78298.15Trejo, Costas, et al., 1991 
368.2298.15Beaumont, Clegg, et al., 1966T = 90 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil489.2KN/AWeast and Grasselli, 1989BS
Tboil489.KN/AHaertel, 1985Uncertainty assigned by TRC = 2. K; TRC
Tboil489.15KN/AAnonymous, 1982TRC
Tboil489.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Tfus228.15KN/AAnonymous, 1982TRC
Tfus228.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Ttriple229.3KN/ABeaumont, Clegg, et al., 1966, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltavap63.7 ± 3.3kJ/molCGCNichols, Orf, et al., 2000AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
376.70.013Weast and Grasselli, 1989BS
376.60.013Buckingham and Donaghy, 1982BS

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
23.71229.3Domalski and Hearing, 1996AC
23.715229.3Beaumont, Clegg, et al., 1966DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
103.4229.3Beaumont, Clegg, et al., 1966DH

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, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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

C3H10N+ + 2,5,8,11-Tetraoxadodecane = (C3H10N+ bullet 2,5,8,11-Tetraoxadodecane)

By formula: C3H10N+ + C8H18O4 = (C3H10N+ bullet C8H18O4)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar145.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; triglyme
Quantity Value Units Method Reference Comment
Deltar167.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; triglyme

C4H5N2+ + 2,5,8,11-Tetraoxadodecane = (C4H5N2+ bullet 2,5,8,11-Tetraoxadodecane)

By formula: C4H5N2+ + C8H18O4 = (C4H5N2+ bullet C8H18O4)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar155.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; triglyme
Quantity Value Units Method Reference Comment
Deltar173.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; triglyme

C6H14N+ + 2,5,8,11-Tetraoxadodecane = (C6H14N+ bullet 2,5,8,11-Tetraoxadodecane)

By formula: C6H14N+ + C8H18O4 = (C6H14N+ bullet C8H18O4)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar181.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; triglyme
Quantity Value Units Method Reference Comment
Deltar183.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; triglyme

(2,5,8,11-Tetraoxadodecane bullet 2Water) + Water = (2,5,8,11-Tetraoxadodecane bullet 3Water)

By formula: (C8H18O4 bullet 2H2O) + H2O = (C8H18O4 bullet 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar43.1kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Deltar95.8J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase

(2,5,8,11-Tetraoxadodecane bullet 3Water) + Water = (2,5,8,11-Tetraoxadodecane bullet 4Water)

By formula: (C8H18O4 bullet 3H2O) + H2O = (C8H18O4 bullet 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar38.kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Deltar88.7J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase

(2,5,8,11-Tetraoxadodecane bullet Water) + Water = (2,5,8,11-Tetraoxadodecane bullet 2Water)

By formula: (C8H18O4 bullet H2O) + H2O = (C8H18O4 bullet 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar51.5kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Deltar133.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase

C5H6N+ + 2,5,8,11-Tetraoxadodecane = (C5H6N+ bullet 2,5,8,11-Tetraoxadodecane)

By formula: C5H6N+ + C8H18O4 = (C5H6N+ bullet C8H18O4)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar145.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase
Quantity Value Units Method Reference Comment
Deltar160.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase

2,5,8,11-Tetraoxadodecane + Water = (2,5,8,11-Tetraoxadodecane bullet Water)

By formula: C8H18O4 + H2O = (C8H18O4 bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar85.4kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Deltar168.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Quantity Value Units Method Reference Comment
Proton affinity (review)946.6kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity892.4kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.8PEBaker, Armen, et al., 1983Vertical value; LBLHLM

Ion clustering 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), Gas Chromatography, 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

C3H10N+ + 2,5,8,11-Tetraoxadodecane = (C3H10N+ bullet 2,5,8,11-Tetraoxadodecane)

By formula: C3H10N+ + C8H18O4 = (C3H10N+ bullet C8H18O4)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar145.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; triglyme
Quantity Value Units Method Reference Comment
Deltar167.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; triglyme

C4H5N2+ + 2,5,8,11-Tetraoxadodecane = (C4H5N2+ bullet 2,5,8,11-Tetraoxadodecane)

By formula: C4H5N2+ + C8H18O4 = (C4H5N2+ bullet C8H18O4)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar155.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; triglyme
Quantity Value Units Method Reference Comment
Deltar173.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; triglyme

C5H6N+ + 2,5,8,11-Tetraoxadodecane = (C5H6N+ bullet 2,5,8,11-Tetraoxadodecane)

By formula: C5H6N+ + C8H18O4 = (C5H6N+ bullet C8H18O4)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar145.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase
Quantity Value Units Method Reference Comment
Deltar160.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase

C6H14N+ + 2,5,8,11-Tetraoxadodecane = (C6H14N+ bullet 2,5,8,11-Tetraoxadodecane)

By formula: C6H14N+ + C8H18O4 = (C6H14N+ bullet C8H18O4)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar181.kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; triglyme
Quantity Value Units Method Reference Comment
Deltar183.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; triglyme

IR Spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, 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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, 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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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
NIST MS number 341344

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

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51232.Olson, Wong, et al., 198730. m/0.32 mm/1.0 «mu»m, 5. K/min; Tstart: 20. C; Tend: 200. C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51232.3Olson, Wong, et al., 198830. m/0.32 mm/1. «mu»m, 5. K/min; Tstart: 20. C; Tend: 200. C

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone205.88Eckel, Ross, et al., 1993Program: not specified
CapillaryMethyl Silicone208.42Eckel, Ross, et al., 1993Program: not specified

References

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

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

Beaumont, Clegg, et al., 1966
Beaumont, R.H.; Clegg, B.; Gee, G.; Herbert, J.B.M.; Marks, D.J.; Roberts, R.C.; Sims, D., Heat capacities of propylene oxide and of some polymers of ethylene and propylene oxides, Polymer, 1966, 7, 401-416. [all data]

Trejo, Costas, et al., 1991
Trejo, L.M.; Costas, M.; Patterson, D., Excess heat capacity of organic mixtures, Internat. DATA Series, Selected Data Mixt., 1991, Ser. [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]

Haertel, 1985
Haertel, G.H., Low-volatility polar organic solvents for sulfur dioxide, hydrogen sulfide, and carbonyl sulfide., J. Chem. Eng. Data, 1985, 30, 57. [all data]

Anonymous, 1982
Anonymous, X., Glymes Grant Chemical, 1982, Baton Rouge, LA 1982. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Beaumont, Clegg, et al., 1966, 2
Beaumont, R.H.; Clegg, B.; Gee, G.; Herbert, J.B.M.; Marks, D.J.; Roberts, R.C.; Sims, D., Heat Capacities of Propylene Oxide and of Some Polymers of Ethylene and Propylene Oxides, Polymer, 1966, 7, 401. [all data]

Nichols, Orf, et al., 2000
Nichols, Gary; Orf, Jennifer; Reiter, Sarah M.; Chickos, James; Gokel, George W., The vaporization enthalpies of some crown and polyethers by correlation gas chromatography, Thermochimica Acta, 2000, 346, 1-2, 15-28, https://doi.org/10.1016/S0040-6031(99)00405-0 . [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), 1983
Meot-Ner (Mautner), M., The Ionic Hydrogen Bond. 3. Multiple and -CH+...O- Bonds. Complexes of Ammonium Ions with Polyethers and Crown Ethers, J. Am. Chem. Soc., 1983, 105, 15, 4912, https://doi.org/10.1021/ja00353a012 . [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]

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]

Baker, Armen, et al., 1983
Baker, A.D.; Armen, G.H.; Funaro, S., Oral levels of crown ethers and related macrocycles studies by ultraviolet photoelectron spectroscopy: Relationship to complexation studies, J. Chem. Soc. Dalton Trans., 1983, 2519. [all data]

Olson, Wong, et al., 1987
Olson, K.L.; Wong, C.A.; Fleck, L.L.; Lazar, D.F., Qualitative and Quantitative Determination of Solvent Formulations in Automotive Paints, J. Chromatogr. Sci., 1987, 25, 9, 418-423, https://doi.org/10.1093/chromsci/25.9.418 . [all data]

Olson, Wong, et al., 1988
Olson, K.L.; Wong, C.A.; Fleck, L.L.; Lazar, D.F., Qualitative and quantitative determination of solvent formulations in automotive paints, J. Coat. Technol., 1988, 60, 762, 45-50. [all data]

Eckel, Ross, et al., 1993
Eckel, W.P.; Ross, B.; Isensee, R.K., Pentobarbital found in ground water, Ground Water, 1993, 31, 5, 801-804, https://doi.org/10.1111/j.1745-6584.1993.tb00853.x . [all data]


Notes

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