Hexanedinitrile
- Formula: C6H8N2
- Molecular weight: 108.1411
- IUPAC Standard InChI: InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
- IUPAC Standard InChIKey: BTGRAWJCKBQKAO-UHFFFAOYSA-N
- CAS Registry Number: 111-69-3
- 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: Adiponitrile; Adipic acid dinitrile; Adipic acid nitrile; Adipodinitrile; 1,4-Dicyanobutane; Hexanedioic acid dinitrile; Tetramethylene dicyanide; Adipyldinitrile; Nitrile adipico; Tetramethylene cyanide; UN 2205; NSC 7617; Adipic dinitrile
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Gas 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°gas | 35.7 ± 0.4 | kcal/mol | Ccb | Lebedeva and Katin, 1973 | Heat of combustion is not reported |
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 | 20.3 ± 0.1 | kcal/mol | Ccb | Lebedeva and Katin, 1973 | Heat of combustion is not reported |
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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 568.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 275. ± 1. | K | AVG | N/A | Average of 8 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 15.4 ± 0.3 | kcal/mol | V | Lebedeva and Katin, 1973 | Heat of combustion is not reported; ALS |
| ΔvapH° | 15.3 | kcal/mol | N/A | Lebedeva and Katin, 1973 | DRB |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 14.0 | 363. | A | Stephenson and Malanowski, 1987 | Based on data from 348. to 523. K.; AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 4.30 | 275. | DSC | Badea, Blanco, et al., 2007 | AC |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lebedeva and Katin, 1973
Lebedeva, N.D.; Katin, Yu.A.,
Heats of combustion of oenanthonitrile, adiponitrile, and tetramethylsuccinodinitrile,
Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 922. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]
Badea, Blanco, et al., 2007
Badea, Elena; Blanco, Ignazio; Della Gatta, Giuseppe,
Fusion and solid-to-solid transitions of a homologous series of alkane-α,ω-dinitriles,
The Journal of Chemical Thermodynamics, 2007, 39, 10, 1392-1398, https://doi.org/10.1016/j.jct.2007.03.005
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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