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2-Propenoic acid, butyl ester

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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
Deltafgas-375.3 ± 0.8kJ/molCcrSteele, Chirico, et al., 1996ALS
Deltafgas-381.1kJ/molN/ABaroody and Carpenter, 1972Value computed using «DELTA»fHliquid° value of -428.4 kj/mol from Baroody and Carpenter, 1972 and «DELTA»vapH° value of 47.3 kj/mol from Steele, Chirico, et al., 1996.; DRB

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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
Deltafliquid-422.6 ± 0.7kJ/molCcrSteele, Chirico, et al., 1996ALS
Deltafliquid-428.4kJ/molCcbBaroody and Carpenter, 1972ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4046.96 ± 0.58kJ/molCcrSteele, Chirico, et al., 1996Corresponding «DELTA»fliquid = -422.59 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
251.0298.15Karabaev, Saidov, et al., 1985T = 90 to 300 K. Cp(c) = 155.53 + 5.53T J/kg*K (100 to 175 K); Cp(liq) = 1290.27 + 2.24T J/kg*K (209.5 to 300 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
DH - Eugene S. Domalski and Elizabeth D. Hearing
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
Tboil418.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil420.2KN/AWeast and Grasselli, 1989BS
Tboil421.95KN/AAnonymous, 1968TRC
Quantity Value Units Method Reference Comment
Tfus209.5KN/AKarabaev, Saidov, et al., 1985DH
Tfus209.5KN/AKarabaev, Abduzhaminov, et al., 1985Uncertainty assigned by TRC = 0.5 K; TRC
Tfus209.15KN/AAnonymous, 1968TRC
Quantity Value Units Method Reference Comment
Tc644.KN/ASteele, Chirico, et al., 1996Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Pc45.40barN/ASteele, Chirico, et al., 1996Uncertainty assigned by TRC = 3.50 bar; from extraploation of obs. vapor pressures to Tc; TRC
Quantity Value Units Method Reference Comment
rhoc2.339mol/lN/ASteele, Chirico, et al., 1996Uncertainty assigned by TRC = 0.12 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap47.31 ± 0.33kJ/molVSteele, Chirico, et al., 1996ALS
Deltavap47.3kJ/molN/ASteele, Chirico, et al., 1996DRB
Deltavap47.3 ± 0.3kJ/molEBSteele, Chirico, et al., 1996Based on data from 318. - 419. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
45.7 ± 0.3320.EBSteele, Chirico, et al., 1996Based on data from 318. - 419. K.; AC
42.8 ± 0.3360.EBSteele, Chirico, et al., 1996Based on data from 318. - 419. K.; AC
40.0 ± 0.3400.EBSteele, Chirico, et al., 1996Based on data from 318. - 419. K.; AC
44.8287.AStephenson and Malanowski, 1987Based on data from 272. - 421. 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
272.7 - 420.64.426831658.03-45.561Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
17.307209.5Karabaev, Abduzhaminov, et al., 1985, 2DH
17.31209.5Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
82.61209.5Karabaev, 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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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

1-Butanol + 2-Propenoic acid = 2-Propenoic acid, butyl ester + Water

By formula: C4H10O + C3H4O2 = C7H12O2 + H2O

Quantity Value Units Method Reference Comment
Deltar16.kJ/molEqkSelyakova, Vytnov, et al., 1976liquid phase; Heat of esterification 60-180 C

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

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.
NIST MS number 2729

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

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]

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]

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]

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

Anonymous, 1968
Anonymous, X., Chemicals and Plastics Physical Properties, 1968, Union Carbide Corp., product bulletin, 1968. [all data]

Karabaev, Abduzhaminov, et al., 1985
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, 1985, No. 5, 74-7. [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]

Selyakova, Vytnov, et al., 1976
Selyakova, V.A.; Vytnov, G.F.; Sineokov, A.P., Study of the esterification of acrylic acid by butyl alcohol, Russ. J. Phys. Chem. (Engl. Transl.), 1976, 50, 1692-1694. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References