Diisopropyl sulfide
- Formula: C6H14S
- Molecular weight: 118.240
- IUPAC Standard InChI: InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
- IUPAC Standard InChIKey: XYWDPYKBIRQXQS-UHFFFAOYSA-N
- CAS Registry Number: 625-80-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Propane, 2,2'-thiobis-; Isopropyl sulfide; 2,4-Dimethyl-3-thiapentane; 2,2'-Thiobispropane; Diisopropyl sulphide; (i-C3H7)2S
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Gas phase thermochemistry data
Go To: Top, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -33.93 ± 0.30 | kcal/mol | Ccr | Good, 1972 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -33.81 ± 0.24 kcal/mol |
| ΔfH°gas | -33.81 | kcal/mol | Ccb | Scott and Crowder, 1967 | Corrected for Sulfer |
| ΔfH°gas | -34.1 ± 0.6 | kcal/mol | Ccb | Mackle and Mayrick, 1962 |
Condensed phase thermochemistry data
Go To: Top, Gas 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:
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 | -43.28 ± 0.23 | kcal/mol | Ccr | Good, 1972 | ALS |
| ΔfH°liquid | -43.5 ± 0.5 | kcal/mol | Ccb | Mackle and Mayrick, 1962 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1143.11 ± 0.20 | kcal/mol | Ccr | Good, 1972 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -1143.04 ± 0.20 kcal/mol; ALS |
| ΔcH°liquid | -1142.86 ± 0.48 | kcal/mol | Ccb | Mackle and Mayrick, 1962 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 74.821 | cal/mol*K | N/A | Messerly and Todd, 1967 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 55.449 | 298.15 | Messerly and Todd, 1967 | T = 10 to 390 K.; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Good, 1972
Good, W.D.,
Enthalpies of combustion of 18 organic sulfur compounds related to petroleum,
J. Chem. Eng. Data, 1972, 17, 158-162. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Scott and Crowder, 1967
Scott, D.W.; Crowder, G.A.,
Cyclohexanethiol and 2,4-dimethyl-3-thiapentane: Molecular vibrations, conformational analyses, and chemical thermodynamic properties,
J. Chem. Phys., 1967, 46, 1054-1062. [all data]
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]
Messerly and Todd, 1967
Messerly, J.F.; Todd, S.S.,
and Guthrie, G.B.Jr, Low-temperature thermal properties of cyclohexanethiol and 2,4-dimethyl-3-thiapentane,
J. Chem. Eng. Data, 1967, 12, 426-429. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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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