Diethyl sulfide
- Formula: C4H10S
- Molecular weight: 90.187
- IUPAC Standard InChIKey: LJSQFQKUNVCTIA-UHFFFAOYSA-N
- CAS Registry Number: 352-93-2
- 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. - Other names: Ethane, 1,1'-thiobis-; Ethyl sulfide; Diethyl thioether; Ethyl monosulfide; Ethyl thioether; Ethylthioethane; Thioethyl ether; 3-Thiapentane; 1,1'-Thiobisethane; Diethyl sulphide; (C2H5)2S; Diethylsulfid; Sulfodor; UN 2375; NSC 75157
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Phase change data
Go To: Top, IR Spectrum, 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
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 |
---|---|---|---|---|---|
Tboil | 365. ± 1. | K | AVG | N/A | Average of 12 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 169.85 | K | N/A | Timmermans, 1952 | Uncertainty assigned by TRC = 0.6 K; TRC |
Tfus | 169.24 | K | N/A | Mcallan, Cullum, et al., 1951 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tfus | 169.85 | K | N/A | Timmermans and Hennaut-Roland, 1935 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 169.21 | K | N/A | Scott, Finke, et al., 1952 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 557. | K | N/A | Majer and Svoboda, 1985 | |
Tc | 557.0 | K | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.5 K; by disappearance of meniscus; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 39.08 | 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 | 3.151 | mol/l | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.6 ± 0.2 | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.593 | 365.3 | N/A | Majer and Svoboda, 1985 | |
8.34 | 327. | N/A | Baev, 2008 | Based on data from 293. to 361. K.; AC |
8.22 | 333. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 318. to 396. K. See also Scott, Finke, et al., 1952, 2 and Osborn and Douslin, 1966.; AC |
8.32 | 324. | EB | White, Barnard--Smith, et al., 1952 | Based on data from 309. to 371. K.; AC |
8.96 | 248. | N/A | Stull, 1947 | Based on data from 233. to 361. K.; AC |
8.01 | 364. | 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 |
---|---|---|---|---|---|
325. to 365. | 12.39 | 0.2843 | 557. | 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 |
---|---|---|---|---|---|
319.07 to 395.58 | 4.04755 | 1257.833 | -54.488 | Osborn and Douslin, 1966 | |
233.6 to 361. | 4.66012 | 1560.523 | -26.557 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
361. to 536. | 4.41098 | 1541.596 | -11.154 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.8449 | 169.21 | Scott, Finke, et al., 1952, 2 | DH |
2.849 | 169.2 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
16.81 | 169.21 | Scott, Finke, et al., 1952, 2 | DH |
IR Spectrum
Go To: Top, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Download spectrum in JCAMP-DX format.
Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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-2557 |
NIST MS number | 229882 |
References
Go To: Top, Phase change 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.
Timmermans, 1952
Timmermans, J.,
Freezing points of organic compounds. VVI New determinations.,
Bull. Soc. Chim. Belg., 1952, 61, 393. [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]
Timmermans and Hennaut-Roland, 1935
Timmermans, J.; Hennaut-Roland, M.,
Physical constants of 20 organic compounds. VII.,
J. Chim. Phys. Phys.-Chim. Biol., 1935, 32, 501. [all data]
Scott, Finke, et al., 1952
Scott, D.W.; Finke, H.L.; Hubbard, W.N.; McCullough, J.P.; Oliver, G.D.; Gross, M.E.; Katz, C.; Williamson, K.D.; Waddington, G.; Huffman, H.M.,
3-Thiapentane: Heat Capacity, Heats of Fusion and Vaporization, Vapor Pressure, Entropy, Heat of Formation and Thermodynamic Functions,
J. Am. Chem. Soc., 1952, 74, 4656-62. [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]
Baev, 2008
Baev, A.K.,
The thermodynamic characteristics of diethylzinc-diethylsulfur solutions,
Russ. J. Phys. Chem. A, 2008, 82, 8, 1266-1272, https://doi.org/10.1134/S0036024408080050
. [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]
Scott, Finke, et al., 1952, 2
Scott, D.W.; Finke, H.L.; Hubbard, W.N.; McCullough, J.P.; Oliver, G.D.; Gross, M.E.; Katz, C.; Williamson, K.D.; Waddington, G.; Huffman, H.M.,
3-Thiapentane: heat capacity, heats of fusion and vaporization, vapor pressure, entropy, heat of formation and thermodynamic functions,
J. Am. Chem. Soc., 1952, 74, 4656-4662. [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]
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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [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, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy 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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