Diisopropyl 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-142.0 ± 1.3kJ/molCcrGood, 1972Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -141.5 ± 1.0 kJ/mol
Δfgas-141.5kJ/molCcbScott and Crowder, 1967Corrected for Sulfer
Δfgas-143. ± 3.kJ/molCcbMackle and Mayrick, 1962 

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
Δfliquid-181.1 ± 0.96kJ/molCcrGood, 1972ALS
Δfliquid-182. ± 2.kJ/molCcbMackle and Mayrick, 1962ALS
Quantity Value Units Method Reference Comment
Δcliquid-4782.77 ± 0.84kJ/molCcrGood, 1972Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -4782.48 ± 0.84 kJ/mol; ALS
Δcliquid-4781.7 ± 2.0kJ/molCcbMackle and Mayrick, 1962ALS
Quantity Value Units Method Reference Comment
liquid313.05J/mol*KN/AMesserly and Todd, 1967DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
232.00298.15Messerly and Todd, 1967T = 10 to 390 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil396. ± 10.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus195.07KN/AMcallan, Cullum, et al., 1951Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Ttriple195.0700KN/AMesserly, Todd, et al., 1967Uncertainty assigned by TRC = 0.005 K; extrapolate T vs 1/F to pure sample, meas. adiabatic calorimetry; TRC
Quantity Value Units Method Reference Comment
Δvap39.4 ± 0.5kJ/molAVGN/AAverage of 7 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
393.21.02Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
39.4308.N/ADykyj, Svoboda, et al., 1999Based on data from 293. to 420. K.; AC
37.7339.A,EBStephenson and Malanowski, 1987Based on data from 324. to 433. K. See also Osborn and Douslin, 1966.; AC
33.8393.2N/AMajer and Svoboda, 1985 
38.5318.EBMackle and Mayrick, 1962, 2Based on data from 303. to 328. K.; AC
37.4345.EBWhite, Barnard--Smith, et al., 1952Based on data from 330. to 400. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
10.414195.07Messerly and Todd, 1967DH
10.42195.1Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
53.39195.07Messerly and Todd, 1967DH

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:


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, 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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedApiezon M130.788.Garbuzov, Misharina, et al., 1985He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m
PackedApiezon M130.787.Golovnya and Garbuzov, 1974N2, Chromosorb W; Column length: 2.1 m

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryApiezon M788.N/AProgram: not specified
CapillaryApiezon M788.Liu, Cao, et al., 2005Program: not specified
CapillaryCP Sil 5 CB778.Gijs, Piraprez, et al., 200050. m/0.32 mm/1.2 μm, He; Program: 33C (16.5min) => 2C/min => 160C => 20C/min => 200C (9min)
CapillaryMethyl Silicone784.Zenkevich, 1999Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Good, 1972
Good, W.D., Enthalpies of combustion of 18 organic sulfur compounds related to petroleum, J. Chem. Eng. Data, 1972, 17, 158-162. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Scott and Crowder, 1967
Scott, D.W.; Crowder, G.A., Cyclohexanethiol and 2,4-dimethyl-3-thiapentane: Molecular vibrations, conformational analyses, and chemical thermodynamic properties, J. Chem. Phys., 1967, 46, 1054-1062. [all data]

Mackle and Mayrick, 1962
Mackle, H.; Mayrick, R.G., Studies in the thermochemistry of organic sulphides. Part 2. The gas-phase heats of formation of ten aliphatic sulphides, Trans. Faraday Soc., 1962, 58, 230-237. [all data]

Messerly and Todd, 1967
Messerly, J.F.; Todd, S.S., and Guthrie, G.B.Jr, Low-temperature thermal properties of cyclohexanethiol and 2,4-dimethyl-3-thiapentane, J. Chem. Eng. Data, 1967, 12, 426-429. [all data]

Mcallan, Cullum, et al., 1951
Mcallan, D.T.; Cullum, T.V.; Dean, R.A.; Fidler, F.A., The Preparation and Properties of Sulfur Compounds Related to Petroleum I. The Dialkyl Sulfides and Disulfides, J. Am. Chem. Soc., 1951, 73, 3627-32. [all data]

Messerly, Todd, et al., 1967
Messerly, J.F.; Todd, S.S.; Guthrie, G.B., Low Temperature Thermal Properties of Cyclohexanethiol and 2,4-Dimethyl-3-thiapentane, J. Chem. Eng. Data, 1967, 12, 426-9. [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]

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]

Osborn and Douslin, 1966
Osborn, A.G.; Douslin, D.R., Vapor Pressure Relations of 36 Sulfur Compounds Present in Petroleum., J. Chem. Eng. Data, 1966, 11, 4, 502-509, https://doi.org/10.1021/je60031a014 . [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]

Mackle and Mayrick, 1962, 2
Mackle, H.; Mayrick, R.G., Studies in the thermochemistry of organic sulphides. Part 2.?The gas-phase heats of formation of ten aliphatic sulphides, Trans. Faraday Soc., 1962, 58, 230, https://doi.org/10.1039/tf9625800230 . [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]

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]

Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V., Gas chromatographic retention indices for sulphur(II)-containing organic substances, J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]

Golovnya and Garbuzov, 1974
Golovnya, R.V.; Garbuzov, V.G., Effect of heteroatom in aliphatic sulfur- and oxygen-containing compounds on the values of the retention indices in gas chromatography, Izv. Akad. Nauk SSSR Ser. Khim., 1974, 7, 1519-1521. [all data]

Liu, Cao, et al., 2005
Liu, L.; Cao, C.-Z.; Xie, B.; Zou, L.-K., Research of QSSR on chromatography retention index of sulfides and mercaptans, Journal of Hunan University of Science and Technology, 2005, 20, 4, 74-80. [all data]

Gijs, Piraprez, et al., 2000
Gijs, L.; Piraprez, G.; Perpète, P.; Spinnler, E.; Collin, S., Retention of sulfur flavours by food matrix and determination of sensorial data independent of the medium composition, Food Chem., 2000, 69, 3, 319-330, https://doi.org/10.1016/S0956-7135(99)00111-5 . [all data]

Zenkevich, 1999
Zenkevich, I.G., Dependence of Gas Chromatographic Retention Indices on Dynamics Molecular Characteristics, Zh. Fiz. Khim., 1999, 73, 5, 905-910. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References