2-Methyladamantane
- Formula: C11H18
- Molecular weight: 150.2606
- IUPAC Standard InChI: InChI=1S/C11H18/c1-7-10-3-8-2-9(5-10)6-11(7)4-8/h7-11H,2-6H2,1H3
- IUPAC Standard InChIKey: VMODAALDMAYACB-UHFFFAOYSA-N
- CAS Registry Number: 700-56-1
- 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: Tricyclo[3.3.1.13,7]decane, 2-methyl-
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction 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 | -152.0 ± 4.4 | kJ/mol | Ccb | Clark, Knox, et al., 1979 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -149.2 ± 2.6 kJ/mol; Gas flow technique for Hs, see Clark, Knox, et al., 1975 |
| ΔfH°gas | -151.4 ± 4.0 | kJ/mol | Ccb | Steele and Watt, 1977 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -156. ± 2. kJ/mol |
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°solid | -216.7 ± 1.2 | kJ/mol | Ccb | Clark, Knox, et al., 1979 | Gas flow technique for Hs, see Clark, Knox, et al., 1975 |
| ΔfH°solid | -225. ± 2. | kJ/mol | Ccb | Steele and Watt, 1977 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -6684.4 ± 1.2 | kJ/mol | Ccb | Clark, Knox, et al., 1979 | Gas flow technique for Hs, see Clark, Knox, et al., 1975; Corresponding ΔfHºsolid = -216.7 kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -6676. ± 2. | kJ/mol | Ccb | Steele and Watt, 1977 | Corresponding ΔfHºsolid = -225. kJ/mol (simple calculation by NIST; no Washburn corrections) |
Reaction thermochemistry 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 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
=
By formula: C11H18 = C11H18
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -14.1 ± 0.46 | kJ/mol | Eqk | Engler, Blanchard, et al., 1972 | liquid phase; GLC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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.
Clark, Knox, et al., 1979
Clark, T.; Knox, T.M.O.; McKervey, M.A.; Mackle, H.; Rooney, J.J.,
Thermochemistry of bridged-ring substances. Enthalpies of formation of some diamondoid hydrocarbons and of perhydroquinacene. Comparisons with data from empirical force field calculations,
J. Am. Chem. Soc., 1979, 101, 2404-2410. [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]
Clark, Knox, et al., 1975
Clark, T.; Knox, T.M.; Mackle, H.; McKervey, M.A.; Rooney, J.J.,
Calorimetric evaluation of enthalpies of formation of some bridged-ring hydrocarbons. Comparison with data from empirical force field calculations.,
J. Am. Chem. Soc., 1975, 97, 3835-3836. [all data]
Steele and Watt, 1977
Steele, W.V.; Watt, I.,
The standard enthalpies of formation of adamantanoid compounds 4. Methyladamantanes,
J. Chem. Thermodyn., 1977, 9, 843-849. [all data]
Engler, Blanchard, et al., 1972
Engler, E.M.; Blanchard, K.R.; Schleyer, P.v.R.,
Enhanced axial-equatorial enthalpy differences in the methyl adamantanes,
J. Chem. Soc. Chem. Commun., 1972, 1210-1212. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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