1,3,5,7-Tetramethyl-adamantane
- Formula: C14H24
- Molecular weight: 192.3404
- IUPAC Standard InChIKey: UJSORZVCMMYGBS-UHFFFAOYSA-N
- CAS Registry Number: 1687-36-1
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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 | -284.6 ± 6.9 | kJ/mol | Ccb | Clark, Knox, et al., 1979 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -281.0 ± 2.1 kJ/mol; Gas flow technique for Hs, see Clark, Knox, et al., 1975 |
ΔfH°gas | -282.1 ± 7.0 | kJ/mol | Ccb | Steele and Watt, 1977 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -295. ± 4. 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 | -362.1 ± 1.9 | kJ/mol | Ccb | Clark, Knox, et al., 1979 | Gas flow technique for Hs, see Clark, Knox, et al., 1975 |
ΔfH°solid | -379. ± 4. | kJ/mol | Ccb | Steele and Watt, 1977 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -8577.0 ± 2.0 | kJ/mol | Ccb | Clark, Knox, et al., 1979 | Gas flow technique for Hs, see Clark, Knox, et al., 1975; Corresponding ΔfHºsolid = -362.1 kJ/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°solid | -8560. ± 4. | kJ/mol | Ccb | Steele and Watt, 1977 | Corresponding ΔfHºsolid = -379. kJ/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:
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
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 337.2 | K | N/A | Clark, Knox, et al., 1977 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 81.13 | kJ/mol | V | Clark, Knox, et al., 1979 | Gas flow technique for Hs, see Clark, Knox, et al., 1975; ALS |
ΔsubH° | 77.5 | kJ/mol | N/A | Clark, Knox, et al., 1979 | DRB |
ΔsubH° | 84. ± 1. | kJ/mol | V | Steele and Watt, 1977 | ALS |
ΔsubH° | 96.9 | kJ/mol | N/A | Steele and Watt, 1977 | DRB |
ΔsubH° | 83.7 ± 1.3 | kJ/mol | BG | Steele and Watt, 1977 | Based on data from 310. to 350. K.; AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
81. ± 11. | 305. | TSGC | Clark, Knox, et al., 1975, 2 | Based on data from 295. to 315. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.82 | 337.2 | Clark, Knox, et al., 1977 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.25 | 183.3 | Clark, Knox, et al., 1977 | CAL |
29.12 | 337.2 |
Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Squalane | 100. | 1162. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 110. | 1169. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 125. | 1176. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 140. | 1185. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Apiezon L | 140. | 1214. | Hála, Eyem, et al., 1970 | N2; Column length: 50. m; Column diameter: 0.2 mm |
Capillary | Squalane | 110. | 1169. | Hála, Eyem, et al., 1970 | N2; Column length: 50. m; Column diameter: 0.2 mm |
Capillary | Squalane | 125. | 1176. | Hála, Eyem, et al., 1970 | N2; Column length: 50. m; Column diameter: 0.2 mm |
Capillary | Squalane | 140. | 1185. | Hála, Eyem, et al., 1970 | N2; Column length: 50. m; Column diameter: 0.2 mm |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1136. | Yang, Wang, et al., 2006 | 30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 6. K/min; Tend: 300. C |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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]
Clark, Knox, et al., 1977
Clark, Timothy; Knox, Trevor Mc.O.; Mackle, Henry; McKervey, M. Anthony,
Order--disorder transitions in substituted adamantanes,
J. Chem. Soc., Faraday Trans. 1, 1977, 73, 0, 1224, https://doi.org/10.1039/f19777301224
. [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]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Hála, Eyem, et al., 1970
Hála, S.; Eyem, J.; Burkhard, J.; Landa, S.,
Retention indices of adamantanes,
J. Chromatogr. Sci., 1970, 8, 4, 203-209, https://doi.org/10.1093/chromsci/8.4.203
. [all data]
Yang, Wang, et al., 2006
Yang, C.; Wang, Z.D.; Hollebone, B.P.; Peng, X.; Fingas, M.; Landriault, M.,
GC/MS Quantitation of diamondoid compounds in crude oils and petroleum products,
Environmental Forensics, 2006, 7, 4, 377-390, https://doi.org/10.1080/15275920600996396
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point 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 ΔfusS Entropy 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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