Diadamantane
- Formula: C14H20
- Molecular weight: 188.3086
- CAS Registry Number: 2292-79-7
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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 | -34.87 ± 0.58 | kcal/mol | Ccb | Clark, Knox, et al., 1979 | Gas flow technique for Hs, see Clark, Knox, et al., 1975 AND Carson, Laye, et al., 1971 |
Condensed phase thermochemistry data
Go To: Top, Gas 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -57.82 ± 0.55 | kcal/mol | Ccb | Clark, Knox, et al., 1979 | Gas flow technique for Hs, see Clark, Knox, et al., 1975 AND Carson, Laye, et al., 1971; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1942.06 ± 0.61 | kcal/mol | Ccb | Clark, Knox, et al., 1979 | Gas flow technique for Hs, see Clark, Knox, et al., 1975 AND Carson, Laye, et al., 1971; Corresponding ΔfHºsolid = -57.81 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 47.839 | cal/mol*K | N/A | Westrum, McKervey, et al., 1978 | crystaline, III phase; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
52.63 | 295.56 | Spinella, Andrews, et al., 1978 | crystaline, III phase; T = 295 to 540 K. Value is unsmoothed experimental datum.; DH |
53.351 | 298.15 | Westrum, McKervey, et al., 1978 | crystaline, III phase; T = 5 to 350 K. Data between 350 and 540 K taken from other work.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 as indicated in comments:
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 524. | K | N/A | Clark, McKervey, et al., 1974 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 523. | K | N/A | Carson, Laye, et al., 1971, 2 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 517.92 | K | N/A | Spinella, Andrews, et al., 1978, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 22.93 | kcal/mol | V | Clark, Knox, et al., 1979 | Gas flow technique for Hs, see Clark, Knox, et al., 1975 AND Carson, Laye, et al., 1971; ALS |
ΔsubH° | 22.9 | kcal/mol | N/A | Clark, Knox, et al., 1979 | DRB |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
22.9 ± 0.2 | 319. | TSGC | Clark, Knox, et al., 1975, 2 | Based on data from 305. to 333. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.07 | 517.9 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.062 | 407.22 | crystaline, III | crystaline, II | Spinella, Andrews, et al., 1978 | DH |
2.141 | 440.43 | crystaline, II | crystaline, I | Spinella, Andrews, et al., 1978 | DH |
2.066 | 517.92 | crystaline, I | liquid | Spinella, Andrews, et al., 1978 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.610 | 407.22 | crystaline, III | crystaline, II | Spinella, Andrews, et al., 1978 | DH |
4.861 | 440.43 | crystaline, II | crystaline, I | Spinella, Andrews, et al., 1978 | DH |
3.989 | 517.92 | crystaline, I | liquid | Spinella, Andrews, et al., 1978 | DH |
Gas phase ion energetics 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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.93 | PE | Dewar and Worley, 1969 | RDSH |
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.
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]
Carson, Laye, et al., 1971
Carson, A.S.; Laye, P.G.; Steele, W.V.; Johnson, D.E.; McKervey, M.A.,
The enthalpy of formation of diamantane,
J. Chem. Thermodyn., 1971, 3, 915-918. [all data]
Westrum, McKervey, et al., 1978
Westrum, E.F., Jr.; McKervey, M.A.; Andrews, J.T.S.; Fort, R.C., Jr.; Clark, T.,
Heat capacity and thermodynamic properties of diamantane from 5 to 540 K,
J. Chem. Thermodynam., 1978, 10, 959-965. [all data]
Spinella, Andrews, et al., 1978
Spinella, G.M.; Andrews, J.T.S.; Bacon, W.E.,
Diamantane: heat capacity (300 to 540 K) and thermodynamics of transition and fusion,
J. Chem. Thermodynam., 1978, 10, 1023-1032. [all data]
Clark, McKervey, et al., 1974
Clark, Timothy; McKervey, M. Anthony; Mackle, Henry; Rooney, John J.,
Pre-melting transitions in caged hydrocarbons, a general theory of disorder in plastic crystals,
J. Chem. Soc., Faraday Trans. 1, 1974, 70, 0, 1279, https://doi.org/10.1039/f19747001279
. [all data]
Carson, Laye, et al., 1971, 2
Carson, A.S.; Laye, P.G.; Steele, W.V.; Johnston, D.E.; McKervey, M.A.,
The Enthalpy of Formation of Diamantane,
J. Chem. Thermodyn., 1971, 3, 915. [all data]
Spinella, Andrews, et al., 1978, 2
Spinella, G.M.; Andrews, J.T.S.; Bacon, W.E.; Fort, R.C.; Sabo, J.,
Diamantane:heat capacity(300 to 540 K) and thermodynamics of transition and fusion,
J. Chem. Thermodyn., 1978, 10, 1023-32. [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]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D.,
Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation,
J. Chem. Phys., 1969, 50, 654. [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:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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 ΔfusH Enthalpy of fusion 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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