Phenol, 2,6-dimethyl-
- Formula: C8H10O
- Molecular weight: 122.1644
- IUPAC Standard InChI: InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
- IUPAC Standard InChIKey: NXXYKOUNUYWIHA-UHFFFAOYSA-N
- CAS Registry Number: 576-26-1
- 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: 2,6-Xylenol; 2,6-Dimethylphenol; 1,2,6-Xylenol; 1,3-Dimethyl-2-hydroxybenzene; 1-Hydroxy-2,6-dimethylbenzene; 2,6-Dmp; NSC 2123
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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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -37.64 | kcal/mol | N/A | Lebedev, Vasil'ev, et al., 1996 | Value computed using ΔfHsolid° value of -233.1±2.9 kj/mol from Lebedev, Vasil'ev, et al., 1996 and ΔsubH° value of 75.6 kj/mol from Andon, Biddiscombe, et al., 1960.; DRB |
| ΔfH°gas | -41.68 | kcal/mol | N/A | Lindberg, Jauhiainen, et al., 1972 | Value computed using ΔfHsolid° value of -250.0 kj/mol from Lindberg, Jauhiainen, et al., 1972 and ΔsubH° value of 75.6 kj/mol from Andon, Biddiscombe, et al., 1960.; DRB |
| ΔfH°gas | -38.68 ± 0.13 | kcal/mol | Ccb | Andon, Biddiscombe, et al., 1960 | ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 10.29 | 50. | Kudchadker S.A., 1979 | GT |
| 15.99 | 100. | ||
| 21.78 | 150. | ||
| 27.070 | 200. | ||
| 34.673 | 273.15 | ||
| 37.278 | 298.15 | ||
| 37.471 | 300. | ||
| 47.457 | 400. | ||
| 56.102 | 500. | ||
| 63.231 | 600. | ||
| 69.099 | 700. | ||
| 73.984 | 800. | ||
| 78.102 | 900. | ||
| 81.604 | 1000. | ||
| 84.601 | 1100. | ||
| 87.175 | 1200. | ||
| 89.393 | 1300. | ||
| 91.315 | 1400. | ||
| 92.980 | 1500. |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -55.71 ± 0.69 | kcal/mol | Ccb | Lebedev, Vasil'ev, et al., 1996 | |
| ΔfH°solid | -59.7 | kcal/mol | Ccb | Lindberg, Jauhiainen, et al., 1972 | |
| ΔfH°solid | -56.75 ± 0.26 | kcal/mol | Ccb | Andon, Biddiscombe, et al., 1960 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1038.3 ± 0.69 | kcal/mol | Ccb | Lebedev, Vasil'ev, et al., 1996 | Corresponding ΔfHºsolid = -55.69 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -1033.8 | kcal/mol | Ccb | Lindberg, Jauhiainen, et al., 1972 | Corresponding ΔfHºsolid = -60.2 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -1037.25 ± 0.24 | kcal/mol | Ccb | Andon, Biddiscombe, et al., 1960 | Corresponding ΔfHºsolid = -56.73 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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.
Lebedev, Vasil'ev, et al., 1996
Lebedev, B.V.; Vasil'ev, V.G.; Bykova, T.A.; Kiparisova, E.G.; Wunderliche, B.,
Thermodynamics of 2,6-dimethylphenol, of the reaction of its oxidative dehydropolycondensation, and of the resultant poly(2,6-dimethyl-p-phenylene oxide)at 0-600 K,
Vysokomol. Soedin., Ser. A, 1996, 38, 216-225. [all data]
Andon, Biddiscombe, et al., 1960
Andon, R.J.L.; Biddiscombe, D.P.; Cox, J.D.; Handley, R.; Harrop, D.; Herington, E.F.G.; Martin, J.F.,
Thermodynamic properties of organic oxygen compounds. Part I. Preparation and physical properties of pure phenol, cresols, and xylenols,
J. Chem. Soc., 1960, 5246-5254. [all data]
Lindberg, Jauhiainen, et al., 1972
Lindberg, J.J.; Jauhiainen, T.P.; Savolainen, A.,
Oxidative coupling of 2,6-disubstituted phenols and the heat of combustion of the resulting products,
Pap. Puu, 1972, 54, 91-93. [all data]
Kudchadker S.A., 1979
Kudchadker S.A.,
Property data available for coal chemicals,
Hydrocarbon Process., 1979, 58, 169-171. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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