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Butyl sulfide

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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 by: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-40.01kcal/molN/ASunner, 1963Value computed using «DELTA»fHliquid° value of -220.7±1.9 kj/mol from Sunner, 1963 and «DELTA»vapH° value of 53.35 kj/mol from missing citation.
Deltafgas-39.96kcal/molN/AMcCullough, Finke, et al., 1961Value computed using «DELTA»fHliquid° value of -220.5±1.5 kj/mol from McCullough, Finke, et al., 1961 and «DELTA»vapH° value of 53.35 kj/mol from missing citation.

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
Deltafliquid-52.76 ± 0.45kcal/molCcrSunner, 1963correction of Sunner, 1955; ALS
Deltafliquid-52.71 ± 0.35kcal/molCcrMcCullough, Finke, et al., 1961ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1458.42kcal/molCcrSunner, 1963correction of Sunner, 1955; ALS
Deltacliquid-1458.42 ± 0.32kcal/molCcrMcCullough, Finke, et al., 1961ALS
Quantity Value Units Method Reference Comment
liquid96.819cal/mol*KN/AMcCullough, Finke, et al., 1961DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
67.959298.15McCullough, Finke, et al., 1961T = 11 to 370 K.; 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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
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
Tboil461.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil461.95KN/AMorris, Lanum, et al., 1960Uncertainty assigned by TRC = 0.3 K; TRC
Tboil458.2KN/ALecat, 1947Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Tfus198.12KN/AMorris, Lanum, et al., 1960Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Ttriple198.130KN/AMcCullough, Finke, et al., 1961, 2Uncertainty assigned by TRC = 0.04 K; TRC
Ttriple198.130KN/AMcCullough, Finke, et al., 1961, 2Uncertainty assigned by TRC = 0.03 K; TRC
Quantity Value Units Method Reference Comment
Deltavap12.66kcal/molN/AMajer and Svoboda, 1985 
Deltavap9.63kcal/molN/ADykyj, Svoboda, et al., 1999Based on data from 283. - 390. K.; AC
Deltavap13.kcal/molN/AShimizu, Saito, et al., 1981AC
Deltavap13.0 ± 0.2kcal/molGCMackle and McClean, 1964AC
Deltavap12.75kcal/molVMcCullough, Finke, et al., 1961ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
10.7339.N/ASawaya, Mokbel, et al., 2004Based on data from 255. - 422. K.; AC
11.1405.A,EBStephenson and Malanowski, 1987Based on data from 390. - 470. K. See also White, Barnard--Smith, et al., 1952.; 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
283. - 313.4.049931292.103-47.066Bauer and Burschkies, 1935Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
4.6429198.13McCullough, Finke, et al., 1961DH
4.639198.1Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
23.43198.13McCullough, Finke, et al., 1961DH

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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

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

Additional Data

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Owner COBLENTZ SOC.
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin WYANDOTTE CHEMICALS CORP.
Source reference COBLENTZ NO. 05951
Date Not specified, most likely prior to 1970
Name(s) dibutyl sulfide
1-(butylsulfanyl)butane
State LIQUID (NEAT)
Instrument BAIRD (GRATING)
Instrument parameters NaCl PRISM
Path length 0.01 CM
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY
Boiling point 186-188 C

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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

View image of digitized spectrum (can be printed in landscape orientation).

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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 4299

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.

Sunner, 1963
Sunner, S., Corrected heat of combustion and formation values for a number of organic sulphur compounds, Acta Chem. Scand., 1963, 17, 728-730. [all data]

McCullough, Finke, et al., 1961
McCullough, J.P.; Finke, H.L.; Hubbard, W.N.; Todd, S.S.; Messerly, J.F.; Douslin, D.R.; Waddington, G., Thermodynamic properties of four linear thiaalkanes, J. Phys. Chem., 1961, 65, 784-791. [all data]

Sunner, 1955
Sunner, S., Thermochemical investigation on organic sulfur compounds IV. On thermochemical sulfur bond energy terms, Acta Chem. Scand., 1955, 9, 837-846. [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]

Morris, Lanum, et al., 1960
Morris, J.C.; Lanum, W.J.; Helm, R.V.; Haines, W.E.; Cook, G.L.; Ball, J.S., Purification and Properties of Ten Organic Sulfur Compounds, J. Chem. Eng. Data, 1960, 5, 112-6. [all data]

Lecat, 1947
Lecat, M., Orthobaric Azeotropes of Sulfides, Bull. Cl. Sci., Acad. R. Belg., 1947, 33, 160-82. [all data]

McCullough, Finke, et al., 1961, 2
McCullough, J.P.; Finke, H.L.; Hubbard, W.N.; Todd, S.S.; Messerly, J.F.; Douslin, D.R.; Waddington, G., Thermodynamic Properties of Four Linear Thiaalkanes, J. Phys. Chem., 1961, 65, 784-91. [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]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Shimizu, Saito, et al., 1981
Shimizu, M.; Saito, Y.; Kusano, K., , Preprints 17th Conf. Chem. Thermodyn. Thermal Anal., Japan, 1981, 50. [all data]

Mackle and McClean, 1964
Mackle, H.; McClean, R.T.B., Measurement of vaporization heats by the method of gas-liquid chromatography. Part 2, Trans. Faraday Soc., 1964, 60, 817, https://doi.org/10.1039/tf9646000817 . [all data]

Sawaya, Mokbel, et al., 2004
Sawaya, Terufat; Mokbel, Ilham; Rauzy, Evelyne; Saab, Joseph; Berro, Charles; Jose, Jacques, Experimental vapor pressures of alkyl and aryl sulfides, Fluid Phase Equilibria, 2004, 226, 283-288, https://doi.org/10.1016/j.fluid.2004.10.007 . [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]

White, Barnard--Smith, et al., 1952
White, P.T.; Barnard--Smith, D.G.; Fidler, F.A., Vapor Pressure--Temperature Relationships of Sulfur Compounds Related to Petroleum, Ind. Eng. Chem., 1952, 44, 6, 1430-1438, https://doi.org/10.1021/ie50510a064 . [all data]

Bauer and Burschkies, 1935
Bauer, H.; Burschkies, K., Sattigungsdrucke einiger Senfole und Sulfide, Ber. Dtsch. Chem. Ges., 1935, 68, 6, 1238-1243, https://doi.org/10.1002/cber.19350680645 . [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]


Notes

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