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Propyl 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-125.2kJ/molN/AMcCullough, Finke, et al., 1961Value computed using «DELTA»fHliquid° value of -169.8±0.88 kj/mol from McCullough, Finke, et al., 1961 and «DELTA»vapH° value of 44.6 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-169.8 ± 0.88kJ/molCcrMcCullough, Finke, et al., 1961ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4794.28 ± 0.75kJ/molCcrMcCullough, Finke, et al., 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -4793.78 ± 0.75 kJ/mol; ALS
Quantity Value Units Method Reference Comment
liquid338.28J/mol*KN/AMcCullough, Finke, et al., 1961DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
237.90300.Tutubalina, Gabdrakhmanov, et al., 1982T = 273 to 373 K. Cp = 221.21 + 3.060x10-2T + 8.343x10-5T2.; DH
225.48298.15McCullough, 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, Chris Muzny, 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
Tboil415. ± 2.KAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple170.430KN/AMcCullough, Finke, et al., 1961, 2Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple170.44KN/AMcCullough, Finke, et al., 1961, 2Uncertainty assigned by TRC = 0.03 K; TRC
Quantity Value Units Method Reference Comment
Deltavap44. ± 4.kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
42.9328.N/ADykyj, Svoboda, et al., 1999Based on data from 313. - 411. K.; AC
40.6368.A,EBStephenson and Malanowski, 1987Based on data from 353. - 427. K. See also White, Barnard--Smith, et al., 1952.; AC
36.6416.N/AMajer and Svoboda, 1985 

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
12.142170.44McCullough, Finke, et al., 1961DH
12.13170.4Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
71.24170.44McCullough, 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:


Reaction 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

C6H14S+ + Propyl sulfide = (C6H14S+ bullet Propyl sulfide)

By formula: C6H14S+ + C6H14S = (C6H14S+ bullet C6H14S)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar119.kJ/molDTJames and Illies, 1996gas phase; «DELTA»rH(0K) = 123. kJ/mol
Quantity Value Units Method Reference Comment
Deltar168.J/mol*KDTJames and Illies, 1996gas phase; «DELTA»rH(0K) = 123. kJ/mol

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 DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 05797
Date 1951/12/12
Name(s) dipropyl sulfide
1-(propylsulfanyl)propane
State SOLUTION (10% CCl4 FOR 2-7.6, 10% CS2 FOR 7.5-16 CM-1)
Instrument BAIRD (GRATING)
Instrument parameters NaCl PRISM
Path length 0.021 CM, 0.011 CM
SPECTRAL CONTAMINATION DUE TO CCl4 AROUND 850 AND 1550 CM-1
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY

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

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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 20438

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, 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.

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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Tutubalina, Gabdrakhmanov, et al., 1982
Tutubalina, V.P.; Gabdrakhmanov, F.G.; Konyukhova, T.M., Study of the heat capacity of n-sulfides, 1982, Teplo-Massoobmen Khim. [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]

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]

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]

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]

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]

James and Illies, 1996
James, M.A.; Illies, A.J., Studies of two-center three-electron S...S bonds in [n-Pr2S...Sn-Pr2]+ and [i-Pr2S...Si-Pr2]+: Thermochemistry of adduct formation and MS/MS metastable and collision-induced dissociation spectra of the adducts, J. Phys. Chem., 1996, 100, 39, 15794, https://doi.org/10.1021/jp9612487 . [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