3-Methyldiadamantane
- Formula: C15H22
- Molecular weight: 202.3352
- IUPAC Standard InChI: InChI=1S/C15H22/c1-15-5-12-9-2-8-3-10(12)14(7-15)11(4-8)13(9)6-15/h8-14H,2-7H2,1H3
- IUPAC Standard InChIKey: QMRMNHDCVOQSGK-UHFFFAOYSA-N
- CAS Registry Number: 28375-86-2
- 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: 4-Methylpentacyclo[7.3.1.1.(4,12).0(2,7).0(6,11)]tetra-decane(4-methyldiamantan)
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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 | -37.60 ± 0.58 | kcal/mol | Ccb | Clark, Knox, et al., 1979 | Gas flow technique for Hs,see Clark, Knox, et al., 1975 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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 | -62.24 ± 0.48 | kcal/mol | Ccb | Clark, Knox, et al., 1979 | Gas flow technique for Hs,see Clark, Knox, et al., 1975 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2099.99 ± 0.48 | kcal/mol | Ccb | Clark, Knox, et al., 1979 | Gas flow technique for Hs,see Clark, Knox, et al., 1975; Corresponding ΔfHºsolid = -62.24 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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:
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 |
|---|---|---|---|---|---|
| ΔsubH° | 24.64 | kcal/mol | V | Clark, Knox, et al., 1979 | Gas flow technique for Hs,see Clark, Knox, et al., 1975; ALS |
| ΔsubH° | 24.64 | kcal/mol | N/A | Clark, Knox, et al., 1979 | DRB |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 19.0 ± 0.30 | 321. | TSGC | Clark, Knox, et al., 1975, 2 | Based on data from 310. to 333. K.; AC |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | V.G.Zaikin, TIPS, Russian Acad. Sci. |
| NIST MS number | 215619 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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]
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]
Clark, Knox, et al., 1975, 2
Clark, Timothy; Knox, Trevor; Mackle, Henry; McKervey, M. Anthony; Rooney, John J.,
Heats of sublimation of some cage hydrocarbons by a temperature scanning technique,
J. Chem. Soc., Faraday Trans. 1, 1975, 71, 0, 2107, https://doi.org/10.1039/f19757102107
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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 ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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