Disulfide, dipropyl
- Formula: C6H14S2
- Molecular weight: 150.305
- IUPAC Standard InChI: InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
- IUPAC Standard InChIKey: ALVPFGSHPUPROW-UHFFFAOYSA-N
- CAS Registry Number: 629-19-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Propyl disulfide; Dipropyl disulfide; 4,5-Dithiaoctane; Dipropyl disulphide; (n-C3H7S)2; n-Propyl disulfide; di-n-Propyl disulfide; 1-(Propyldisulfanyl)propane; NSC 75122
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -28.04 ± 0.26 | kcal/mol | Ccb | Hubbard, Douslin, et al., 1958 | Reanalyzed by Cox and Pilcher, 1970, Original value = -27.77 ± 0.26 kcal/mol |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -40.98 ± 0.24 | kcal/mol | Ccb | Hubbard, Douslin, et al., 1958 | Reanalyzed by Cox and Pilcher, 1970, Original value = -40.71 ± 0.24 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1289.45 ± 0.17 | kcal/mol | Ccb | Hubbard, Douslin, et al., 1958 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1288.90 ± 0.17 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 89.281 | cal/mol*K | N/A | Hubbard, Douslin, et al., 1958 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 62.729 | 298.15 | Hubbard, Douslin, et al., 1958 | T = 10 to 360 K.; DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.62 | PE | Wagner and Bock, 1974 | Vertical value; LLK |
| 8.62 | PE | Bock, Wagner, et al., 1972 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hubbard, Douslin, et al., 1958
Hubbard, W.N.; Douslin, D.R.; McCullough, J.P.; Scott, D.W.; Todd, S.S.; Messerly, J.F.; Hossenlopp, I.A.; George, A.; Waddington, G.,
2,3-dithiabutane, 3,4-dithiahexane and 4,5-dithiaoctane: Chemical thermodynamic properties from 0 to 1000°K,
J. Am. Chem. Soc., 1958, 80, 3547-3554. [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]
Wagner and Bock, 1974
Wagner, G.; Bock, H.,
Photoelektronenspektren und molekuleigenschaften, XXVI. Die delokalisation von schwefel-elektronenpaaren in alkylsulfiden und -disulfiden,
Chem. Ber., 1974, 107, 68. [all data]
Bock, Wagner, et al., 1972
Bock, H.; Wagner, G.; Kroner, J.,
Photoelektronenspektren und molekuleigenschaften, XIV. Die delokalisation des schwefel-elektronenpaar in CH3S-substituierten aromaten,
Chem. Ber., 1972, 105, 3850. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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