Propanoic acid, 2-methyl-, 2-methylpropyl ester

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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-140.4 ± 0.38kcal/molCcbVerevkin, Beckhaus, et al., 1996 
Quantity Value Units Method Reference Comment
Δcliquid-1158.6 ± 0.38kcal/molCcbVerevkin, Beckhaus, et al., 1996Corresponding Δfliquid = -140.4 kcal/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

Go To: Top, Condensed phase thermochemistry data, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil421. ± 1.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus192.50KN/ATimmermans, 1922Uncertainty assigned by TRC = 0.15 K; TRC
Quantity Value Units Method Reference Comment
Tc601.89KN/ABrown, 1906Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
Δvap11.6kcal/molGSVerevkin and Emel'yanenko, 2008Based on data from 274. to 319. K.; AC
Δvap10.63 ± 0.093kcal/molVVerevkin, Beckhaus, et al., 1996ALS
Δvap10.6kcal/molN/AVerevkin, Beckhaus, et al., 1996DRB
Δvap10.6 ± 0.02kcal/molGSVerevkin, Beckhaus, et al., 1996Based on data from 278. to 313. K.; AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
11.2292.AStephenson and Malanowski, 1987Based on data from 277. to 421. 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
277.3 to 420.74.754621806.356-40.698Stull, 1947Coefficents calculated by NIST from author's data.

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Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change 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: 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-NW- 905
NIST MS number 228838

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References

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

Verevkin, Beckhaus, et al., 1996
Verevkin, S.P.; Beckhaus, H.-D.; Belen'kaja, R.S.; Rakus, K.; Ruchardt, C., Geminal substituent effects Part 9. Standard enthalpies of formation and strain free increments of branched esters and ethers, Thermochim. Acta, 1996, 279, 47-64. [all data]

Timmermans, 1922
Timmermans, J., Investigation of the Freezing Point of Organic Substances VII, Bull. Soc. Chim. Belg., 1922, 31, 389. [all data]

Brown, 1906
Brown, J.C., The critical temperature and value of ml/theta of some carbon compounds, J. Chem. Soc., Trans., 1906, 89, 311. [all data]

Verevkin and Emel'yanenko, 2008
Verevkin, Sergey P.; Emel'yanenko, Vladimir N., Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters, Fluid Phase Equilibria, 2008, 266, 1-2, 64-75, https://doi.org/10.1016/j.fluid.2008.02.001 . [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]


Notes

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