Tricyclo[8.2.2.24,7]-hexadecane
- Formula: C16H28
- Molecular weight: 220.3935
- IUPAC Standard InChI: InChI=1S/C16H28/c1-2-14-4-3-13(1)9-10-15-5-7-16(8-6-15)12-11-14/h13-16H,1-12H2
- IUPAC Standard InChIKey: NJKSNKVRWTTWPA-UHFFFAOYSA-N
- CAS Registry Number: 283-68-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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 | -36.4 ± 3.1 | kcal/mol | Ccb | Shieh, McNally, et al., 1969 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -36.5 ± 3.6 kcal/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 | -58.4 ± 3.1 | kcal/mol | Ccb | Shieh, McNally, et al., 1969 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2402.9 ± 3.1 | kcal/mol | Ccb | Shieh, McNally, et al., 1969 | Corresponding ΔfHºsolid = -58.3 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° | 21.9 ± 0.5 | kcal/mol | V | Shieh, McNally, et al., 1969 | ALS |
| ΔsubH° | 22.0 | kcal/mol | N/A | Shieh, McNally, et al., 1969 | DRB |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 20.4 | 327. | N/A | Stephenson and Malanowski, 1987 | Based on data from 316. to 338. K.; AC |
| 21.9 ± 0.2 | 327. | ME | Shieh, McNally, et al., 1969 | Based on data from 316. to 338. K. See also Pedley and Rylance, 1977.; AC |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.1 | PE | Gleiter, Spanget-Larsen, et al., 1984 | LBLHLM |
| 9.4 | PE | Gleiter, Spanget-Larsen, et al., 1984 | Vertical value; LBLHLM |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shieh, McNally, et al., 1969
Shieh, C.; McNally, D.; Boyd, R.H.,
The heats of combustion and strain energies of some cyclophanes,
Tetrahedron, 1969, 3653-3665. [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]
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]
Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J.,
, Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]
Gleiter, Spanget-Larsen, et al., 1984
Gleiter, R.; Spanget-Larsen, J.; Hopf, H.; Mlynek, C.,
Photoelectron spectra of some reduction products of [2.2]paracyclophane,
Chem. Ber., 1984, 117, 1987. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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 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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