Propanenitrile, 3,3'-thiobis-
- Formula: C6H8N2S
- Molecular weight: 140.206
- IUPAC Standard InChI: InChI=1S/C6H8N2S/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2
- IUPAC Standard InChIKey: NDVLTZFQVDXFAN-UHFFFAOYSA-N
- CAS Registry Number: 111-97-7
- 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: Propionitrile, 3,3'-thiodi-; β,β'-Dicyanodiethyl sulfide; β,β'-Thiodipropionitrile; Bis(2-cyanoethyl) sulfide; Di(2-cyanoethyl) sulfide; Dicyanoethyl sulfide; Sulfide, bis(2-cyanoethyl); Thiodipropionitrile; 2-Cyanoethyl sulfide; 3,3'-Thiodipropionitrile; Thiobis(2-cyanoethane); 2-Cyanoethyl thioether; Nitril kyseliny β,β'-thiodipropionove; USAF HA-5; 2,2'-Thiodiethylkyanid; Bis-(2-cyanoethyl) sulphide; beta,beta'-Thiodipropionitrile; NSC 2040; 3,3'-thiodipropiononitrile
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Condensed phase thermochemistry data
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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°liquid | 23.0 ± 1.2 | kcal/mol | Cm | Gladstone and Chang, 1966 | Heat of formation derived by Cox and Pilcher, 1970 |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 301.75 | K | N/A | Gladstone and Chang, 1966, 2 | Uncertainty assigned by TRC = 0.3 K |
| Tfus | 301.7 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.2 K |
| Tfus | 301.8 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.15 K |
| Tfus | 295.25 | K | N/A | Witschonke, 1954 | Metastable crystal phase; Uncertainty assigned by TRC = 0.3 K |
Reaction thermochemistry data
Go To: Top, Condensed 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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.
Individual Reactions
+ 2
= 2
+ ammonium sulphide
By formula: C6H8N2S + 2H3N = 2C3H3N + ammonium sulphide
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 30.20 ± 0.60 | kcal/mol | Cm | Gladstone and Chang, 1966 | liquid phase; Heat of formation derived by Cox and Pilcher, 1970 |
2 + ammonium sulphide =
+ 2
By formula: 2C3H3N + ammonium sulphide = C6H8N2S + 2H3N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -30.20 ± 0.60 | kcal/mol | Cm | Gladstone and Chang, 1966 | liquid phase |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gladstone and Chang, 1966
Gladstone, S.; Chang, H.Y.,
Determination of the standard heat of formation of 3,3'-thiodipropionitrile,
J. Chem. Eng. Data, 1966, 11, 238-239. [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]
Gladstone and Chang, 1966, 2
Gladstone, S.; Chang, H.-Y.,
Det. of the Standard Heat of Formation of 3,3'-Thiodipropionitrile,
J. Chem. Eng. Data, 1966, 11, 238. [all data]
Witschonke, 1954
Witschonke, C.R.,
Freezing point and purity data for some organic compounds,
Anal. Chem., 1954, 26, 562-4. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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