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Butane, 1-(methylthio)-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-101. ± 3.kJ/molCcbMackle and Mayrick, 1962ALS
Deltafgas-102.2 ± 1.1kJ/molCcbGeller, 1961ALS
Deltafgas-102.0kJ/molN/AMcCullough, Finke, et al., 1961Value computed using «DELTA»fHliquid° value of -142.8±0.8 kj/mol from McCullough, Finke, et al., 1961 and «DELTA»vapH° value of 40.8 kj/mol from Geller, 1961.; DRB

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-142. ± 2.kJ/molCcbMackle and Mayrick, 1962ALS
Deltafliquid-143.0 ± 0.84kJ/molCcbGeller, 1961ALS
Deltafliquid-142.8 ± 0.75kJ/molCcrMcCullough, Finke, et al., 1961ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4142.1 ± 1.9kJ/molCcbMackle and Mayrick, 1962ALS
Deltacliquid-4141.9 ± 0.67kJ/molCcbGeller, 1961ALS
Deltacliquid-4141.3 ± 0.67kJ/molCcrMcCullough, Finke, et al., 1961ALS
Quantity Value Units Method Reference Comment
liquid307.48J/mol*KN/AMcCullough, Finke, et al., 1961DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
200.92298.15McCullough, 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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil396.3 ± 0.5KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus175.25KN/ALanum and Morris, 1969Uncertainty assigned by TRC = 0.2 K; TRC
Tfus175.32KN/AMorris, Lanum, et al., 1960Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Ttriple175.290KN/AMcCullough, Finke, et al., 1961, 2Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple175.300KN/AMcCullough, Finke, et al., 1961, 2Uncertainty assigned by TRC = 0.03 K; TRC
Quantity Value Units Method Reference Comment
Deltavap40.8 ± 0.4kJ/molAVGN/AAverage of 9 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
40.4312.N/ADykyj, Svoboda, et al., 1999Based on data from 297. - 423. K.; AC
35.3315.AStephenson and Malanowski, 1987Based on data from 301. - 330. K.; AC
38.0358.A,EBStephenson and Malanowski, 1987Based on data from 343. - 436. K. See also McCullough, Finke, et al., 1961 and Osborn and Douslin, 1966.; AC
34.47396.6N/AMajer and Svoboda, 1985 
38.1313.EBMackle and Mayrick, 1962, 2Based on data from 296. - 325. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference
346.90 - 435.834.070731363.808-61.076Osborn and Douslin, 1966

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
12.452175.30McCullough, Finke, et al., 1961DH
12.45175.6Lange, 1985AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
71.03175.30McCullough, 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 SOCIETY
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., WYANDOTTE, MICHIGAN, USA
Source reference COBLENTZ NO. 3840
Date Not specified, most likely prior to 1970
Name(s) butyl methyl sulfide
1-(methylsulfanyl)butane
State LIQUID
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Path length 0.005 CM
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY
Boiling point 120-122 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

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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 1294

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.


UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Bol'shakov, et al., 1969
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 20108
Instrument unknown
Boiling point 123.5

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedApiezon M130.815.Garbuzov, Misharina, et al., 1985He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m
PackedApiezon M130.815.Golovnya, Garbuzov, et al., 1976N2, Chromosorb W; Column length: 2.1 m
PackedApiezon M130.815.Golovnya and Garbuzov, 1974N2, Chromosorb W; Column length: 2.1 m
PackedApiezon L130.810.Martinu and Janák, 1970 

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M93.1032.6Morishita, Murakita, et al., 1985Column length: 50. m; Column diameter: 0.25 mm
CapillaryPEG-20M80.1029.3Morishita, Murakita, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
PackedPolyethylene Glycol130.1051.Golovnya, Garbuzov, et al., 1976N2, Chromosorb W; Column length: 2.1 m

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-5810.Savel'eva, Zenkevich, et al., 200325. m/0.20 mm/0.33 «mu»m, Helium, 40. C @ 1. min, 5. K/min, 270. C @ 15. min

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

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Column type Active phase I Reference Comment
CapillarySE-30813.Vinogradov, 2004Program: not specified
CapillaryPolydimethyl siloxanes811.Zenkevich, 1998Program: not specified
Capillarymethyl silicone oil with 5% Igepal801.Schultz, Flath, et al., 1988Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
Capillarymethyl silicone oil with 5% Igepal803.Schultz, Flath, et al., 1988Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
CapillarySE-52820.van Langenhove and Schamp, 1986Column length: 100. m; Column diameter: 0.50 mm; Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1043.Vinogradov, 2004Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, Notes

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

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]

Geller, 1961
Geller, B.E., Properties of the dimethylformamide water system. I. Thermochemical properties, Russ. J. Phys. Chem. (Engl. Transl.), 1961, 35, 542-564. [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]

Lanum and Morris, 1969
Lanum, W.J.; Morris, J.C., Physical Properties of Some Sulfur and Nitrogen Compounds, J. Chem. Eng. Data, 1969, 14, 93-8. [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]

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]

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]

Lange, 1985
Lange, N.A., Lange's Handbook of Chemistry, 13th Edition, J.A. Dean, ed(s)., McGraw-Hill, New York, NY, 1985, 1792. [all data]

Bol'shakov, et al., 1969
Bol'shakov, G.F., et al., Ultraviolet spectra of heteroorganic compounds, 1969, 99. [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, Garbuzov, et al., 1976
Golovnya, R.V.; Garbuzov, V.G.; Misharina, T.A., Gas chromatographic characteristics of sulfur compounds. 2. Normal sulfides, Izv. Akad. Nauk Kaz. SSR Ser. Khim., 1976, 10, 2266-2270. [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]

Martinu and Janák, 1970
Martinu, V.; Janák, J., Gas-liquid chromatographic retention data of some aliphatic and alicyclic sulphides, J. Chromatogr., 1970, 52, 69-75, https://doi.org/10.1016/S0021-9673(01)96545-8 . [all data]

Morishita, Murakita, et al., 1985
Morishita, F.; Murakita, H.; Kojima, T., Prediction of retention indices of thiols and sulfides under different conditions of capillary gas chromatography, Bunseki Kagaku, 1985, 34, 12, 800-802, https://doi.org/10.2116/bunsekikagaku.34.12_800 . [all data]

Morishita, Murakita, et al., 1982
Morishita, F.; Murakita, H.; Takemura, Y.; Kojima, T., Prediction of molecular structures of thiols and sulphides by retention indices, J. Chromatogr., 1982, 239, 483-492, https://doi.org/10.1016/S0021-9673(00)82005-1 . [all data]

Savel'eva, Zenkevich, et al., 2003
Savel'eva, E.I.; Zenkevich, I.G.; Radilov, A.S., Identification the Products of Chemical Neutralization of O-Isobutyl-S-(2-diethylaminoethyl)methylthiophosphonate in the Composition of Bitumen-Salt Matrices, Zh. Anal. Khim. (Rus.), 2003, 58, 2, 135-145. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Zenkevich, 1998
Zenkevich, I.G., The Principle of Structural Analogy in the Calculation of Gas Chromatographic Retention Indices using Physico-Chemical Constants of Organic Compounds, Zh. Anal. Khim. (Rus.), 1998, 53, 1, 43-49. [all data]

Schultz, Flath, et al., 1988
Schultz, T.H.; Flath, R.A.; Stern, D.J.; Mon, T.R.; Teranishi, R.; McKenna Kruse, S.; Butlder, B.; Howard, W.E., Coyote estrous urine volatiles, J. Chem. Ecol., 1988, 14, 2, 701-712, https://doi.org/10.1007/BF01013917 . [all data]

van Langenhove and Schamp, 1986
van Langenhove, H.; Schamp, N., Identification of Volatiles in the Head Space of Acid-Treated Phosphate Rock by Gas Chromatography-Mass Spectromety, J. Chromatogr., 1986, 351, 65-75, https://doi.org/10.1016/S0021-9673(01)83473-7 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References