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Acetic acid, hydroxy-, methyl ester

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-556.9 ± 6.4kJ/molCcrSteele, Chirico, et al., 1996 

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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid-609.41 ± 0.94kJ/molCcrSteele, Chirico, et al., 1996 
Quantity Value Units Method Reference Comment
Deltacliquid-1428.61 ± 0.94kJ/molCcrSteele, Chirico, et al., 1996Corresponding «DELTA»fliquid = -609.41 kJ/mol (simple calculation by NIST; no Washburn corrections)

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil423.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Deltavap52.5 ± 6.3kJ/molVSteele, Chirico, et al., 1996ALS
Deltavap52.5kJ/molN/ASteele, Chirico, et al., 1996DRB
Deltavap52.5 ± 6.3kJ/molEBSteele, Chirico, et al., 1996Based on data from 326. - 381. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
47.4297.AStephenson and Malanowski, 1987Based on data from 282. - 425. K. See also Ketelaar, van Velden, et al., 2010.; AC

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 Comment
282.8 - 424.74.99641942.427-35.915Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
11.4272.8Jarmelo, Maria, et al., 2000AC

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 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
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference Comment
10.42 ± 0.05EIBurgers, Holmes, et al., 1987LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3O+10.82 ± 0.05C2H3O2EISuh, Kingsmill, et al., 1995Unpublished result of F.P.Lossing; LL
CH5O+[CH3OH2+]11.5 ± 0.1CO+CHOEIBurgers, Holmes, et al., 1987LBLHLM
C2H3O2+11.38 ± 0.05CH2OHEIBlanchette, Holmes, et al., 1986LBLHLM
C2H3O3+10.50CH3EIBurgers, Holmes, et al., 1987LBLHLM
C2H5O2+10.74 ± 0.05CHOEISuh, Kingsmill, et al., 1995Unpublished result of F.P.Lossing; LL
C2H6O2+[CH3O··H··O=CH2+]10.9 ± 0.2COEIBurgers, Holmes, et al., 1987LBLHLM

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

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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 Japan AIST/NIMC Database- Spectrum MS-IW-3840
NIST MS number 236489

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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), Notes

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

Steele, Chirico, et al., 1996
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K., Thermodynamic properties and ideal-gas enthalpies of formation for butyl vinyl ether, 1,2-dimethoxyethane, methyl glycolate, bicyclo[2.2.1]hept-2-ene, 5-vinylbicyclo[2.2.1]hept-2-ene, trans-azobenzene, butyl acrylate, di-tert-butyl ether, and hexane-1,6-diol, J. Chem. Eng. Data, 1996, 41, 1285-1302. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]

Ketelaar, van Velden, et al., 2010
Ketelaar, J.A.A.; van Velden, P.F.; Zalm, P., Vapour pressures and heats of vaporization of cis- and trans-1,2-dichloroethene, Recl. Trav. Chim. Pays-Bas, 2010, 66, 12, 721-732, https://doi.org/10.1002/recl.19470661202 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Jarmelo, Maria, et al., 2000
Jarmelo, Susana; Maria, Teresa M.R.; Leitão, Luísa P.; Fausto, Rui, Structural and vibrational characterization of methyl glycolate in the low temperature crystalline and glassy states, Phys. Chem. Chem. Phys., 2000, 2, 6, 1155-1163, https://doi.org/10.1039/a909291i . [all data]

Burgers, Holmes, et al., 1987
Burgers, P.C.; Holmes, J.L.; Hop, C.E.C.A.; Postma, R.; Ruttink, P.J.A.; Terlouw, J.K., The isomeric [C2H6O2]+ hydrogen-bridged radical cations [CH2-O(H)...H...O=CH2]+, [CH3-O...H...O=CH2]+, and [CH3-O(H)...H...O=CH]+: Theory and experiment, J. Am. Chem. Soc., 1987, 109, 7315. [all data]

Suh, Kingsmill, et al., 1995
Suh, D.; Kingsmill, C.A.; Ruttink, P.J.A.; Burgers, P.C.; Terlouw, J.K., C-H...O and O...H...O bonded intermediates in the dissociation of low energy methyl glycolate radical cations, Int. J. Mass Spectrom. Ion Processes, 1995, 146/147, 305. [all data]

Blanchette, Holmes, et al., 1986
Blanchette, M.C.; Holmes, J.L.; Hop, C.E.C.A.; Lossing, F.P.; Postma, R.; Ruttink, P.J.A.; Terlouw, J.K., Theory and experiment in concert; the CH3O-C=O+ ion and its isomers, J. Am. Chem. Soc., 1986, 108, 7589. [all data]


Notes

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