2-Propenoic acid, 2-methyl-


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-414.8 ± 2.3kJ/molCcbVan-chin-syan, Kochubei, et al., 1996ALS
Δfliquid-419.7 ± 0.4kJ/molCcbLebedeva, Gutner, et al., 1976ALS
Quantity Value Units Method Reference Comment
Δcliquid-2016.7 ± 2.2kJ/molCcbVan-chin-syan, Kochubei, et al., 1996Corresponding Δfliquid = -414.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-2012. ± 0.4kJ/molCcbLebedeva, Gutner, et al., 1976Corresponding Δfliquid = -419.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
159.7298.15Karabaev, Abduzhaminov, et al., 1985T = 287 to 350 K. Equation only. Cp (J/kg*K) = -551.8 + 8.0712 T. Cp data calculated from equation.; DH
159.7298.15Karabaev, Saidov, et al., 1985T = 90 to 350 K. Cp(c) = 244.98 + 4.92T J/kg*K (95 to 287.5 K); Cp(liq) = -551.47 + 8.07T J/kg*K (287.5 to 350 K). Cp data calculated from equation.; 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
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
Tboil435.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus288. ± 1.KAVGN/AAverage of 5 values; Individual data points
Quantity Value Units Method Reference Comment
Tc638.4KN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 3. K; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Pc49.0521barN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 1.00 bar; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Δvap47.5 ± 0.4kJ/molCVan-chin-syan, Kochubei, et al., 1996ALS
Δvap47.5kJ/molN/AVan-chin-syan, Kochubei, et al., 1996DRB
Δvap47.5 ± 0.4kJ/molCVan-Chin-Syan, Kochubei, et al., 1996AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
53.9336.AStephenson and Malanowski, 1987Based on data from 321. to 435. K.; AC
51.6313.AStephenson and Malanowski, 1987Based on data from 298. to 434. K. See also Stull, 1947.; 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
298.7 to 434.5.373252094.201-44.514Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
8.0625287.5Karabaev, Abduzhaminov, et al., 1985, 2DH
8.06287.5Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
28.04287.5Karabaev, Abduzhaminov, et al., 1985, 2DH

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 as indicated in comments:
B - John E. Bartmess
ALS - 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

C4H5O2- + Hydrogen cation = 2-Propenoic acid, 2-methyl-

By formula: C4H5O2- + H+ = C4H6O2

Quantity Value Units Method Reference Comment
Δr1440. ± 12.kJ/molG+TSGraul, Schnute, et al., 1990gas phase; B
Quantity Value Units Method Reference Comment
Δr1410. ± 12.kJ/molCIDCGraul, Schnute, et al., 1990gas phase; B

Hydrogen + 2-Propenoic acid, 2-methyl- = Propanoic acid, 2-methyl-

By formula: H2 + C4H6O2 = C4H8O2

Quantity Value Units Method Reference Comment
Δr-118. ± 1.kJ/molChydSkinner and Snelson, 1959liquid phase; solvent: Acetic acid; ALS

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Fihtengolts, et al., 1969
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 20127
Instrument SF-4
Boiling point 60/ 12 mm

Gas Chromatography

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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

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-5711.Meynier, Novelli, et al., 199930. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min; Tend: 200. C

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, NIST Free Links, NIST Subscription Links, Notes

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

Van-chin-syan, Kochubei, et al., 1996
Van-chin-syan, Yu.Ya.; Kochubei, V.V.; Sergeev, V.V.; Raevskii, Yu.A.; Gerasimchuk, S.I.; Kotovich, Kh.Z., Thermodynamic properties of some acids and aldehydes of the acrylic series, Sov. J. Chem. Phys. (Engl. Transl.), 1996, 70, 1789-1794, In original 1932. [all data]

Lebedeva, Gutner, et al., 1976
Lebedeva, N.D.; Gutner, N.M.; Kiseleva, N.N., Correlation of the departures from additivity in the enthalpies of formation of ethylene and benzene derivatives with the σp constants, J. Org. Chem. USSR (Engl. Transl.), 1976, 12, 1594-1597. [all data]

Karabaev, Abduzhaminov, et al., 1985
Karabaev, M.; Abduzhaminov, T.P.; Saidov, A.A.; Igamberdyev, Kh.T., Thermophysical properties of liquid methacrylic acid and its simple esters, Izv. Akad. Nauk Uzb. SSR, Ser. Fiz.-Mat. Nauk, 1985, (4), 71-74. [all data]

Karabaev, Saidov, et al., 1985
Karabaev, M.; Saidov, A.A.; Abduzhaminov, T.P.; Kenisarin, M.M., Heat capacity and molecular kinetic processes of condensed phase acrylates and methacrylates, Izv. Akad. Nauk UzSSR, Ser. Fiz.-Math., 1985, (6), 51-54. [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]

D'Souza and Teja, 1987
D'Souza, R.; Teja, A.S., The prediction of the vapor pressures of carboxylic acids, Chem. Eng. Commun., 1987, 61, 13. [all data]

Van-Chin-Syan, Kochubei, et al., 1996
Van-Chin-Syan, Yu.Ya.; Kochubei, V.V.; Sergeev, V.V.; Raevskii, Yu.A.; Gerasimchuk, S.I.; Kotovich, Kh.Z., Thermodynamic properties of some acrylic-series acids and aldehydes, Zh. Fiz. Khim., 1996, 70, 11, 1932. [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]

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]

Karabaev, Abduzhaminov, et al., 1985, 2
Karabaev, M.K.; Abduzhaminov, T.P.; Kenisarin, M.M.; Saidov, A.A., Thermodynamics of the crystal-liquid phase transition in acrylates and methacrylates, Izv. Akad. Nauk Uzb. SSR, Ser. Fiz.-Mat. Nauk, 1985, (5), 74-77. [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]

Graul, Schnute, et al., 1990
Graul, S.T.; Schnute, M.E.; Squires, R.R., Gas-Phase Acidities of Carboxylic Acids and Alcohols from Collision-Induced Dissociation of Dimer Cluster Ions, Int. J. Mass Spectrom. Ion Proc., 1990, 96, 2, 181, https://doi.org/10.1016/0168-1176(90)87028-F . [all data]

Skinner and Snelson, 1959
Skinner, H.A.; Snelson, A., Heats of hydrogenation Part 3., Trans. Faraday Soc., 1959, 55, 405-407. [all data]

Fihtengolts, et al., 1969
Fihtengolts, V.S., et al., Atlas of UV Absorption Spectra of Substances Used in Synthetic Rubbers Manufacture, 1969, 13. [all data]

Meynier, Novelli, et al., 1999
Meynier, A.; Novelli, E.; Chissolinim, R.; Zanardi, E.; Gandemer, G., Volatile compounds of commercial Milano salami, Meat Sci., 1999, 51, 2, 175-183, https://doi.org/10.1016/S0309-1740(98)00122-3 . [all data]


Notes

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