2-Propenoic acid, 2-methyl-

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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-87.79 ± 0.57kcal/molCcbVan-chin-syan, Kochubei, et al., 1996ALS
Δfgas-88.96kcal/molN/ALebedeva, Gutner, et al., 1976Value computed using ΔfHliquid° value of -419.7±0.4 kj/mol from Lebedeva, Gutner, et al., 1976 and ΔvapH° value of 47.5 kj/mol from Van-chin-syan, Kochubei, et al., 1996.; 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-99.14 ± 0.55kcal/molCcbVan-chin-syan, Kochubei, et al., 1996ALS
Δfliquid-100.3 ± 0.1kcal/molCcbLebedeva, Gutner, et al., 1976ALS
Quantity Value Units Method Reference Comment
Δcliquid-482.00 ± 0.53kcal/molCcbVan-chin-syan, Kochubei, et al., 1996Corresponding Δfliquid = -99.14 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-480.8 ± 0.1kcal/molCcbLebedeva, Gutner, et al., 1976Corresponding Δfliquid = -100.3 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
38.17298.15Karabaev, 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
38.17298.15Karabaev, 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
Pc48.4107atmN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 0.987 atm; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Δvap11.4 ± 0.1kcal/molCVan-chin-syan, Kochubei, et al., 1996ALS
Δvap11.4kcal/molN/AVan-chin-syan, Kochubei, et al., 1996DRB
Δvap11.4 ± 0.1kcal/molCVan-Chin-Syan, Kochubei, et al., 1996AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
12.9336.AStephenson and Malanowski, 1987Based on data from 321. to 435. K.; AC
12.3313.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 (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
298.7 to 434.5.367542094.201-44.514Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.9270287.5Karabaev, Abduzhaminov, et al., 1985, 2DH
1.93287.5Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
6.702287.5Karabaev, 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:


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

View large format table.

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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]

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References