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Diisopropyl sulfide

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-33.93 ± 0.30kcal/molCcrGood, 1972Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -33.81 ± 0.24 kcal/mol
Deltafgas-33.81kcal/molCcbScott and Crowder, 1967Corrected for Sulfer
Deltafgas-34.1 ± 0.6kcal/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
Deltafliquid-43.28 ± 0.23kcal/molCcrGood, 1972ALS
Deltafliquid-43.5 ± 0.5kcal/molCcbMackle and Mayrick, 1962ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1143.11 ± 0.20kcal/molCcrGood, 1972Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -1143.04 ± 0.20 kcal/mol; ALS
Deltacliquid-1142.86 ± 0.48kcal/molCcbMackle and Mayrick, 1962ALS
Quantity Value Units Method Reference Comment
liquid74.821cal/mol*KN/AMesserly and Todd, 1967DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
55.449298.15Messerly and Todd, 1967T = 10 to 390 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, 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
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
Deltavap9.4 ± 0.1kcal/molAVGN/AAverage of 7 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
393.21.00Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.42308.N/ADykyj, Svoboda, et al., 1999Based on data from 293. - 420. K.; AC
9.01339.A,EBStephenson and Malanowski, 1987Based on data from 324. - 433. K. See also Osborn and Douslin, 1966.; AC
8.08393.2N/AMajer and Svoboda, 1985 
9.20318.EBMackle and Mayrick, 1962, 2Based on data from 303. - 328. K.; AC
8.94345.EBWhite, Barnard--Smith, et al., 1952Based on data from 330. - 400. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.4890195.07Messerly and Todd, 1967DH
2.490195.1Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
12.76195.07Messerly 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:


Mass spectrum (electron ionization)

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

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-3309
NIST MS number 233893

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References

Go To: Top, Gas phase thermochemistry data, 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.

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]


Notes

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