Dimethyl sulfide
- Formula: C2H6S
- Molecular weight: 62.134
- IUPAC Standard InChIKey: QMMFVYPAHWMCMS-UHFFFAOYSA-N
- CAS Registry Number: 75-18-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Methane, thiobis-; Methyl sulfide; Dimethyl monosulfide; Dimethyl thioether; DMS; Methyl monosulfide; 2-Thiapropane; Dimethyl sulphide; Thiobismethane; (CH3)2S; Dimethylsulfid; Exact-S; Methyl sulphide; Methylthiomethane; Sulfure de methyle; 2-Thiopropane; UN 1164; Methyl thioether; Sulfide, methyl-; Methane, 1,1'-thiobis-; (Methylsulfanyl)methane
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Gas phase thermochemistry data
Go To: Top, Phase change data, Henry's Law 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 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 |
---|---|---|---|---|---|
ΔfH°gas | -8.96 ± 0.48 | kcal/mol | Ccb | Voronkov, Klyuchnikov, et al., 1989 | ALS |
ΔfH°gas | -8.98 ± 0.14 | kcal/mol | Ccr | McCullough, Hubbard, et al., 1957 | ALS |
ΔfH°gas | -7.74 | kcal/mol | N/A | Douglas, 1946 | Value computed using ΔfHliquid° value of -60.2 kj/mol from Douglas, 1946 and ΔvapH° value of 27.8 kj/mol from McCullough, Hubbard, et al., 1957.; DRB |
Phase change data
Go To: Top, Gas phase thermochemistry data, Henry's Law 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 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
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 311. ± 3. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 174.88 | K | N/A | Haines, Helm, et al., 1956 | Uncertainty assigned by TRC = 0.06 K; TRC |
Tfus | 174.90 | K | N/A | Mcallan, Cullum, et al., 1951 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 174.85 | K | N/A | Osborne, Doescher, et al., 1942 | Uncertainty assigned by TRC = 0.03 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 503. | K | N/A | Majer and Svoboda, 1985 | |
Tc | 503.0 | K | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.4 K; by disappearance of meniscus; TRC |
Tc | 503.0 | K | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.4 K; by apperanance of turbidity; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 54.58 | atm | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.4000 atm; vapor pressure at Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.972 | mol/l | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
ρc | 4.84 | mol/l | N/A | Herz and Neukirch, 1923 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 6.65 ± 0.07 | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.5 | 310.5 | N/A | Majer and Svoboda, 1985 | |
6.91 | 283. | A | Stephenson and Malanowski, 1987 | Based on data from 268. to 319. K.; AC |
6.62 | 322. | A | Stephenson and Malanowski, 1987 | Based on data from 307. to 379. K.; AC |
6.36 | 387. | A | Stephenson and Malanowski, 1987 | Based on data from 372. to 453. K.; AC |
6.38 | 462. | A | Stephenson and Malanowski, 1987 | Based on data from 447. to 503. K.; AC |
6.88 ± 0.02 | 276. | C | McCullough, Hubbard, et al., 1957 | AC |
6.67 ± 0.02 | 292. | C | McCullough, Hubbard, et al., 1957 | AC |
6.45 ± 0.02 | 310. | C | McCullough, Hubbard, et al., 1957 | AC |
6.74 | 302. | EB | White, Barnard--Smith, et al., 1952 | Based on data from 287. to 318. K.; AC |
6.91 | 278. | N/A | Osborne, Doescher, et al., 1942, 2 | Based on data from 251. to 293. K.; AC |
6.91 | 310. | N/A | Thompson and Linnett, 1935 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
276. to 311. | 9.928 | 0.2731 | 503. | Majer and Svoboda, 1985 |
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 |
---|---|---|---|---|---|
250.60 to 293.24 | 4.28142 | 1201.134 | -29.906 | Osborne, Doescher, et al., 1942, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.91 | 174.9 | Domalski and Hearing, 1996 | AC |
Henry's Law data
Go To: Top, Gas 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.48 | 3100. | M | N/A | |
0.080 | E | N/A | Calculated molecular structure relationship. | |
0.48 | 3500. | X | N/A | Value given here as quoted by missing citation. |
0.56 | 3500. | M | N/A | |
0.62 | X | N/A | Value given here as quoted by missing citation. | |
0.44 | C | N/A | missing citation refer to an unpublished manuscript; no details are available. Solubility in sea water. | |
0.56 | 3700. | M | N/A | |
0.61 | M | N/A | Value at T = 293. K. | |
0.70 | R | N/A | Value at T = 293. K. | |
0.16 | M | N/A | ||
0.55 | V | N/A |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Voronkov, Klyuchnikov, et al., 1989
Voronkov, M.G.; Klyuchnikov, V.A.; Kolabin, S.N.; Shvets, G.N.; Varusin, P.I.; Deryagina, E.N.; Korchevin, N.A.; Tsvetnitskaya, S.I.,
Thermochemical properties of diorganyl chalcogenides and dichalcogenides RMnR(M = S, Se, Te; n = 1, 2).,
Dokl. Phys. Chem. (Engl. Transl.), 1989, 307, 650-653, In original 1139. [all data]
McCullough, Hubbard, et al., 1957
McCullough, J.P.; Hubbard, W.N.; Frow, F.R.; Hossenlopp, I.A.; Waddington, G.,
Ethanethiol and 2-thiapropane: Heats of formation and isomerization; the chemical thermodynamic properties from 0 to 1000°K,
J. Am. Chem. Soc., 1957, 79, 561-566. [all data]
Douglas, 1946
Douglas, T.B.,
Heats of formation of liquid methyl sulfoxide and crystalline methyl sulfone at 18°,
J. Am. Chem. Soc., 1946, 68, 1072-1076. [all data]
Haines, Helm, et al., 1956
Haines, W.E.; Helm, R.V.; Cook, G.L.; Ball, J.S.,
Purification and Properties of Organic Sulfur Compounds,
J. Phys. Chem., 1956, 60, 549-55. [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]
Osborne, Doescher, et al., 1942
Osborne, D.W.; Doescher, R.N.; Yost, D.M.,
The heat capacity, heats of fusion and vaporization, vapor pressure and entropy of dimethyl sulfide.,
J. Am. Chem. Soc., 1942, 64, 169-72. [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]
Berthoud and Brum, 1924
Berthoud, A.; Brum, R.,
Physical Properties of Some Organic Compounds.,
J. Chim. Phys. Phys.-Chim. Biol., 1924, 21, 143-60. [all data]
Herz and Neukirch, 1923
Herz, W.; Neukirch, E.,
On Knowldge of the Critical State,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1923, 104, 433-50. [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]
Osborne, Doescher, et al., 1942, 2
Osborne, D.W.; Doescher, R.N.; Yost, D.M.,
The heat capacity, heats of fusion and vaporization, vapor pressure and entropy of dimethyl sulfide,
J. Am. Chem. Soc., 1942, 64, 169-172. [all data]
Thompson and Linnett, 1935
Thompson, H.W.; Linnett, J.W.,
The vapour pressures of some alkyl sulphides,
Trans. Faraday Soc., 1935, 31, 1743, https://doi.org/10.1039/tf9353101743
. [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, Phase change data, Henry's Law data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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