2-Propenoic acid, ethyl 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-79.21kcal/molN/AVilcu and Perisanu, 1980Value computed using ΔfHliquid° value of -370.6 kj/mol from Vilcu and Perisanu, 1980 and ΔvapH° value of 39.2 kj/mol from Vilcu, Perisanu, et al., 1975.; DRB
Δfgas-84.66kcal/molCcbVilcu, Perisanu, et al., 1975ALS
Δfgas-78.35kcal/molN/ABaroody and Carpenter, 1972Value computed using ΔfHliquid° value of -367.0 kj/mol from Baroody and Carpenter, 1972 and ΔvapH° value of 39.2 kj/mol from Vilcu, Perisanu, et al., 1975.; 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-88.58kcal/molChydVilcu and Perisanu, 1980 
Δfliquid-94.03kcal/molCcbVilcu, Perisanu, et al., 1975 
Δfliquid-87.8kcal/molCcbBaroody and Carpenter, 1972 
Quantity Value Units Method Reference Comment
Δcliquid-648.91kcal/molCcbVilcu, Perisanu, et al., 1975Corresponding Δfliquid = -94.61 kcal/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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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
Tboil373.0KN/AWeast and Grasselli, 1989BS
Tboil373.KN/AAmerican Tokyo Kasei, 1988BS
Tboil372.5KN/AAnonymous, 1955Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Δvap9.37kcal/molVVilcu, Perisanu, et al., 1975ALS
Δvap9.37kcal/molN/AVilcu, Perisanu, et al., 1975DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference Comment
9.89258.Stull, 1947Based on data from 243. to 372. K.; AC

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
243.7 to 372.74.268821366.06-52.678Stull, 1947Coefficents 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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Hydrogen + 2-Propenoic acid, ethyl ester = Propanoic acid, ethyl ester

By formula: H2 + C5H8O2 = C5H10O2

Quantity Value Units Method Reference Comment
Δr-32.5 ± 1.1kcal/molChydVilcu and Perisanu, 1980liquid phase

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 by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference
≤10.3PEMorizur, Mercier, et al., 1982

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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

Vilcu and Perisanu, 1980
Vilcu, R.; Perisanu, S., The ideal gas state enthalpies of formation of some monomers, Rev. Roum. Chim., 1980, 25, 619-624. [all data]

Vilcu, Perisanu, et al., 1975
Vilcu, R.; Perisanu, S.; Ciocazanu, I., Heats of formation in the ideal gas state of some substances containing carbon, hydrogen and oxygen, Conf. Int. Thermodyn. Chim. C.R. 4th, 1975, 1, 105-112. [all data]

Baroody and Carpenter, 1972
Baroody, E.E.; Carpenter, G.A., Heats of formation of propellant compounds (U), Rpt. Naval Ordnance Systems Command Task No. 331-003/067-1/UR2402-001 for Naval Ordance Station, Indian Head, MD, 1972, 1-9. [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]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Anonymous, 1955
Anonymous, R., , Am. Pet. Inst. Res. Proj. 45, Tech. Rep. 14, No. 1, Ohio State Univ., 1955. [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]

Morizur, Mercier, et al., 1982
Morizur, J.-P.; Mercier, J.; Sarraf, M., 2-Substituted-2,3-dihydro-4H-pyrans: Competition between 'Retro Diels-Alder' fragmentation and substituent loss, Org. Mass Spectrom., 1982, 17, 327. [all data]


Notes

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