Formic acid, butyl ester

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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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil379.7 ± 0.7KAVGN/AAverage of 11 out of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus183.15KN/ATimmermans, 1927Uncertainty assigned by TRC = 1.5 K; TRC
Tfus183.2KN/ATimmermans, 1922Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tc565.2KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap9.837kcal/molN/AMajer and Svoboda, 1985 
Δvap9.58kcal/molEBChylinski, Fras, et al., 2004Based on data from 313. to 359. K.; AC
Δvap9.87 ± 0.02kcal/molCSvoboda, Uchytilová, et al., 1980AC
Δvap8.86 ± 0.01kcal/molVMathews, 1926ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
8.743379.3N/AMajer and Svoboda, 1985 
9.06310.AStephenson and Malanowski, 1987Based on data from 295. to 380. K.; AC
9.58 ± 0.02313.CSvoboda, Uchytilová, et al., 1980AC
9.32 ± 0.02328.CSvoboda, Uchytilová, et al., 1980AC
9.25 ± 0.02346.CCihlár, Hynek, et al., 1976AC
9.11 ± 0.02355.CCihlár, Hynek, et al., 1976AC
8.91 ± 0.02363.CCihlár, Hynek, et al., 1976AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
298. to 363.13.200.231565.2Majer and Svoboda, 1985 

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
302.3 to 385.64.222011347.33-59.956Nelson, 1928Coefficents 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:


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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118902

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Phase change 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.

Timmermans, 1927
Timmermans, J., The Melting Point of Organic Substances, Bull. Soc. Chim. Belg., 1927, 36, 502. [all data]

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

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Chylinski, Fras, et al., 2004
Chylinski, Krzysztof; Fras, Zbigniew; Malanowski, Stanislaw K., Vapor-Liquid Equilibrium for Phenol + α-Methyl Benzyl Alcohol and 2-Ethoxyethanol + n -Butyl Formate «8224», J. Chem. Eng. Data, 2004, 49, 1, 2-6, https://doi.org/10.1021/je025566c . [all data]

Svoboda, Uchytilová, et al., 1980
Svoboda, Václav; Uchytilová, Vera; Majer, Vladimír; Pick, Jirí, Heats of vaporization of alkyl esters of formic, acetic and propionic acids, Collect. Czech. Chem. Commun., 1980, 45, 12, 3233-3240, https://doi.org/10.1135/cccc19803233 . [all data]

Mathews, 1926
Mathews, J.H., The accurate measurement of heats of vaporization of liquids, J. Am. Chem. Soc., 1926, 48, 562-576. [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]

Cihlár, Hynek, et al., 1976
Cihlár, J.; Hynek, V.; Svoboda, V.; Holub, R., Heats of vaporization of alkyl esters of formic acid, Collect. Czech. Chem. Commun., 1976, 41, 1, 1-6, https://doi.org/10.1135/cccc19760001 . [all data]

Nelson, 1928
Nelson, O.A., Vapor Pressures of Fumigants: II---Methyl, Ethyl, n-Propyl, Isopropyl, n-Butyl, Secondary Butyl and Isobutyl Formates 1, Ind. Eng. Chem., 1928, 20, 12, 1382-1384, https://doi.org/10.1021/ie50228a035 . [all data]


Notes

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References