- Formula: C6H14S
- Molecular weight: 118.240
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: ZERULLAPCVRMCO-UHFFFAOYSA-N
- CAS Registry Number: 111-47-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Propane, 1,1'-thiobis-; Dipropyl sulfide; Dipropyl thioether; Propyl monosulfide; 4-Thiaheptane; 1,1'-Thiobispropane; Dipropyl sulphide; (n-C3H7)2S; n-Propyl sulfide; di-n-Propyl sulfide; Di-n-propyl thioether; NSC 78429; Sulfide, n-propyl-
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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: Donald R. Burgess, Jr.
|fH°gas||-125.2||kJ/mol||N/A||McCullough, Finke, et al., 1961||Value computed using «DELTA»fHliquid° value of -169.8±0.88 kj/mol from McCullough, Finke, et al., 1961 and «DELTA»vapH° value of 44.6 kj/mol from missing citation.|
Condensed phase thermochemistry data
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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
|fH°liquid||-169.8 ± 0.88||kJ/mol||Ccr||McCullough, Finke, et al., 1961||ALS|
|cH°liquid||-4794.28 ± 0.75||kJ/mol||Ccr||McCullough, Finke, et al., 1961||Reanalyzed by Cox and Pilcher, 1970, Original value = -4793.78 ± 0.75 kJ/mol; ALS|
|S°liquid||338.28||J/mol*K||N/A||McCullough, Finke, et al., 1961||DH|
Constant pressure heat capacity of liquid
|Cp,liquid (J/mol*K)||Temperature (K)||Reference||Comment|
|237.90||300.||Tutubalina, Gabdrakhmanov, et al., 1982||T = 273 to 373 K. Cp = 221.21 + 3.060x10-2T + 8.343x10-5T2.; DH|
|225.48||298.15||McCullough, Finke, et al., 1961||T = 11 to 370 K.; DH|
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
C6H14S+ + = (C6H14S+ )
By formula: C6H14S+ + C6H14S = (C6H14S+ C6H14S)
Bond type: Charge transfer bond (positive ion)
|rH°||119.||kJ/mol||DT||James and Illies, 1996||gas phase; «DELTA»rH(0K) = 123. kJ/mol|
|rS°||168.||J/mol*K||DT||James and Illies, 1996||gas phase; «DELTA»rH(0K) = 123. kJ/mol|
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
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]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Tutubalina, Gabdrakhmanov, et al., 1982
Tutubalina, V.P.; Gabdrakhmanov, F.G.; Konyukhova, T.M., Study of the heat capacity of n-sulfides, 1982, Teplo-Massoobmen Khim. [all data]
James and Illies, 1996
James, M.A.; Illies, A.J., Studies of two-center three-electron S...S bonds in [n-Pr2S...Sn-Pr2]+ and [i-Pr2S...Si-Pr2]+: Thermochemistry of adduct formation and MS/MS metastable and collision-induced dissociation spectra of the adducts, J. Phys. Chem., 1996, 100, 39, 15794, https://doi.org/10.1021/jp9612487 . [all data]
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions cH°liquid Enthalpy of combustion of liquid at standard conditions fH°gas Enthalpy of formation of gas at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions rH° Enthalpy of reaction at standard conditions rS° Entropy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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