Ethanol, 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
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-90.1 ± 1.9kcal/molCmGuthrie, 1977Hydrolysis; ALS
Δfgas-94.62kcal/molN/ASimonetta, 1947Value computed using ΔfHliquid° value of -441.0 kj/mol from Simonetta, 1947 and ΔvapH° value of 45.1 kj/mol from Guthrie, 1977.; DRB

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-100.9 ± 1.8kcal/molCmGuthrie, 1977Hydrolysis; ALS
Δfliquid-105.4kcal/molCcbSimonetta, 1947Author value for hf298-condensed=-123 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-450.kcal/molCcbSimonetta, 1947Author value for hf298-condensed=-123 kcal/mol; Corresponding Δfliquid = -105. kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
41.917298.15Svoboda, Zabransky, et al., 1991T = 298 to 330 K. Cp(liq) = 84.235 + 0.3057(T/K) J/mol*K. Cp value calculated from equation.; DH
42.21298.15Roux, Perron, et al., 1978DH
41.80298.15Kusano, Suurkuusk, et al., 1973DH

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
DRB - Donald R. Burgess, Jr.
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
Tboil397.5 ± 0.3KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tc597.6KN/AWilson, Wilson, et al., 1996Uncertainty assigned by TRC = 0.2 K; by a static method; TRC
Tc571.KN/ASteele, Chirico, et al., 1994Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Pc52.16atmN/AWilson, Wilson, et al., 1996Uncertainty assigned by TRC = 0.20 atm; by a static method; TRC
Pc35.53atmN/ASteele, Chirico, et al., 1994Uncertainty assigned by TRC = 0.05 atm; TRC
Quantity Value Units Method Reference Comment
ρc3.80mol/lN/AWilson, Wilson, et al., 1996Uncertainty assigned by TRC = 0.09 mol/l; TRC
ρc4.03mol/lN/ASteele, Chirico, et al., 1994Uncertainty assigned by TRC = 0.04 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap10.8kcal/molN/AMajer and Svoboda, 1985 
Δvap10.8kcal/molN/AGuthrie, 1977DRB
Δvap10.8 ± 0.05kcal/molCKusano, Wadsö, et al., 1971AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
8.972397.3N/AMajer and Svoboda, 1985 
10.3361.N/AMarrufo, Loras, et al., 2010Based on data from 346. to 397. K.; AC
10.2348.AStephenson and Malanowski, 1987Based on data from 333. to 423. K.; AC
10.3344.N/APick, Fried, et al., 1956Based on data from 329. to 396. K.; AC
9.88273.VGallaugher and Hibbert, 1937ALS

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
329.3 to 396.75.058151853.556-30.838Pick, Fried, et al., 1956, 2Coefficents calculated by NIST from author's data.

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: John E. Bartmess

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

C3H7O2- + Hydrogen cation = Ethanol, 2-methoxy-

By formula: C3H7O2- + H+ = C3H8O2

Quantity Value Units Method Reference Comment
Δr373.7 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr366.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale

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
0.022-870.XN/A

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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
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)183.7kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity174.4kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.13PEKimura, Katsumata, et al., 1981LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H5O+10.36CH2OHEILossing, 1977LLK
C2H6O+10.3 ± 0.2CH3OEIBurgers, Holmes, et al., 1983LBLHLM
C2H6O+10.45 ± 0.05CH2OEIHolmes, Lossing, et al., 1982LBLHLM
C2H7O+9.96 ± 0.05HCOEIHolmes and Lossing, 1984LBLHLM

De-protonation reactions

C3H7O2- + Hydrogen cation = Ethanol, 2-methoxy-

By formula: C3H7O2- + H+ = C3H8O2

Quantity Value Units Method Reference Comment
Δr373.7 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr366.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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 NIST Mass Spectrometry Data Center, 1998.
NIST MS number 290807

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, 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.

Guthrie, 1977
Guthrie, J.P., Cyclization of glycol monoesters to give hemiorthoesters: a test of the thermochemical method for determining free energies of tetrahedral intermediates, Can. J. Chem., 1977, 55, 3562-3574. [all data]

Simonetta, 1947
Simonetta, M., II problema termico nella catena di reazioni tra ossido di etilene ed alcool metilico, Chimi. Ind. (Milan), 1947, 29, 37-39. [all data]

Svoboda, Zabransky, et al., 1991
Svoboda, V.; Zabransky, M.; Barta, M., Molar heat capacities of 2-methoxyethanol, 2-ethoxyethanol, and 2-propoxyethanol in the temperature range from 298K to 330K, J. Chem. Thermodynam., 1991, 23, 711-712. [all data]

Roux, Perron, et al., 1978
Roux, G.; Perron, G.; Desnoyers, J.E., Model systems for hydrophobic interactions: volumes and heat capacities of n-alkoxyethanols in water, J. Solution Chem., 1978, 7, 639-654. [all data]

Kusano, Suurkuusk, et al., 1973
Kusano, K.; Suurkuusk, J.; Wads, I., Thermochemistry of solutions of biochemical model compounds. 2. Alkoxyethanols and 1,2-dialkoxyethanes in water, J. Chem. Thermodynam. 5,757-767 (1973).73LEB/TSV Lebedev, B.V., Tsvetkova, L.Ya., and Rabinovich, I.B., Specific heat and thermodynamic functions of poly(vinyltrimethylsilane), Tr. Khim. Khim. Tekhnol., 1973, (1), 17-18. [all data]

Wilson, Wilson, et al., 1996
Wilson, L.C.; Wilson, H.L.; Wilding, W.V.; Wilson, G.M., Critical Point Measurements for Fourteen Compounds by a Static Method and a Flow Method, J. Chem. Eng. Data, 1996, 41, 1252-4. [all data]

Steele, Chirico, et al., 1994
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K., DIPPR project 871. Determination of ideal-gas enthalpies of formation for key compounds. The 1990 project results, Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Ser. No. 2, p. 188-215. [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]

Kusano, Wadsö, et al., 1971
Kusano, Kazuhito; Wadsö, Ingemar; Rømming, Chr.; Lindberg, Alf A.; Lagerlund, Inger; Ehrenberg, L., Enthalpies of Vaporization of Organic Compounds. VIII. Alkoxyethanols., Acta Chem. Scand., 1971, 25, 219-224, https://doi.org/10.3891/acta.chem.scand.25-0219 . [all data]

Marrufo, Loras, et al., 2010
Marrufo, Beatriz; Loras, Sonia; Sanchotello, Margarita, Isobaric Vapor-Liquid Equilibria for Binary and Ternary Mixtures with Cyclohexane, Cyclohexene, and 2-Methoxyethanol at 100 kPa, J. Chem. Eng. Data, 2010, 55, 1, 62-68, https://doi.org/10.1021/je900259b . [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]

Pick, Fried, et al., 1956
Pick, J.; Fried, V.; Hala, E.; Vilim, O., Collect. Czech. Chem. Commun., 1956, 21, 260. [all data]

Gallaugher and Hibbert, 1937
Gallaugher, A.F.; Hibbert, H., Studies on reactions relating to carbohydrates and polysaccharides. LV. Vapor pressures of the polyethylene glycols and their derivatives, J. Am. Chem. Soc., 1937, 59, 2521-2525. [all data]

Pick, Fried, et al., 1956, 2
Pick, J.; Fried, V.; Hala, E.; Vilim, O., Der Dampfdruck des Athylenglykolmonomethylathers und des Athylenglykolmonoathylathers, Collect. Czech. Chem. Commun., 1956, 21, 1, 260-261, https://doi.org/10.1135/cccc19560260 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [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]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [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]

Burgers, Holmes, et al., 1983
Burgers, P.C.; Holmes, J.L.; Szulejko, J.E.; Mommers, A.A.; Terlouw, J.K., The gas phase ion chemistry of the acetyl cation and isomeric [C2H3O]+ ions. On the structure of the [C2H3O]+ daughter ions generated from the enol of acetone radical cation, Org. Mass Spectrom., 1983, 18, 254. [all data]

Holmes, Lossing, et al., 1982
Holmes, J.L.; Lossing, F.P.; Terlouw, J.K.; Burgers, P.C., The radical cation [CH2OH2]+ and related stable gas phase ion-dipole complexes, J. Am. Chem. Soc., 1982, 104, 2931. [all data]

Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P., Heats of formation of organic radicals from appearance energies, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [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, IR Spectrum, Mass spectrum (electron ionization), References