1-Adamantanol
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChIKey: VLLNJDMHDJRNFK-UHFFFAOYSA-N
- CAS Registry Number: 768-95-6
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Tricyclo[3.3.1.1(3,7)]decan-1-ol; 1-Adamantol; 1-Hydroxyadamantane; Adamantan-1-ol; Tricyclo(3.3.1.1(3,7))-n-decanol; 1-Adamantyl alcohol; Adamantol-(1); NSC 108837; NSC 91633; tricyclo[3.3.1.13,7]decan-1-ol
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Gas phase thermochemistry data
Go To: Top, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -311. ± 3. | kJ/mol | Ccb | Steele, 1979 | |
ΔfH°gas | -311. ± 3. | kJ/mol | Ccb | Arora and Steele, 1978 |
Condensed phase thermochemistry data
Go To: Top, Gas 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -397. ± 3. | kJ/mol | Ccb | Arora and Steele, 1978 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -5824. ± 3. | kJ/mol | Ccb | Arora and Steele, 1978 | Corresponding ΔfHºsolid = -397. kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 554.2 | K | N/A | Chickos, Braton, et al., 1991 | Uncertainty assigned by TRC = 0.002 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 60.8 | kJ/mol | GC | van Roon, Parsons, et al., 2002 | AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 86.8 ± 0.2 | kJ/mol | C | Charapennikau, Blokhin, et al., 2003 | AC |
ΔsubH° | 86.7 ± 0.2 | kJ/mol | ME | Charapennikau, Blokhin, et al., 2003 | Based on data from 288. to 323. K.; AC |
ΔsubH° | 87. ± 3. | kJ/mol | V | Arora and Steele, 1978 | ALS |
ΔsubH° | 86.0 | kJ/mol | N/A | Arora and Steele, 1978 | DRB |
ΔsubH° | 86.6 ± 2.5 | kJ/mol | BG | Arora and Steele, 1978 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.36 | 552.9 | Charapennikau, Blokhin, et al., 2003, 2 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.8 | 369.2 | Salman and Abas, 1989 | CAL |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.500 | 369.16 | crystaline, III | crystaline, II | Salman and Abas, 1989, 2 | DH |
7.130 | 529.16 | crystaline, II | crystaline, I | Salman and Abas, 1989, 2 | DH |
2.500 | 369.16 | crystaline, III | crystaline, II | Salman and Abas, 1988 | DH |
7.130 | 529.16 | crystaline, II | crystaline, I | Salman and Abas, 1988 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
6.77 | 369.16 | crystaline, III | crystaline, II | Salman and Abas, 1989, 2 | DH |
13.25 | 529.16 | crystaline, II | crystaline, I | Salman and Abas, 1989, 2 | DH |
6.77 | 369.16 | crystaline, III | crystaline, II | Salman and Abas, 1988 | DH |
13.25 | 529.16 | crystaline, II | crystaline, I | Salman and Abas, 1988 | DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Steele, 1979
Steele, W.V.,
Thermochemically determined ΔH°f(g) values for ketones and alcohols,
Private Communication, University of Stirling, Stirling, Scotland, 1979, 0. [all data]
Arora and Steele, 1978
Arora, M.; Steele, W.V.,
The standard enthalpies of formation of adamantanoid compounds 5. Adamantanols and adamantanone,
J. Chem. Thermodyn., 1978, 10, 403-407. [all data]
Chickos, Braton, et al., 1991
Chickos, J.S.; Braton, C.M.; Hesse, D.G.; Liebman, J.F.,
Estimating entropies and enthalpies of fusion of organic compounds,
J. Org. Chem., 1991, 56, 3, 927, https://doi.org/10.1021/jo00003a007
. [all data]
van Roon, Parsons, et al., 2002
van Roon, André; Parsons, John R.; Govers, Harrie A.J.,
Gas chromatographic determination of vapour pressure and related thermodynamic properties of monoterpenes and biogenically related compounds,
Journal of Chromatography A, 2002, 955, 1, 105-115, https://doi.org/10.1016/S0021-9673(02)00200-5
. [all data]
Charapennikau, Blokhin, et al., 2003
Charapennikau, M.B.; Blokhin, A.V.; Kabo, G.J.; Sevruk, V.M.; Krasulin, A.P.,
Thermodynamic properties of three adamantanols in the ideal gas state,
Thermochimica Acta, 2003, 405, 1, 85-91, https://doi.org/10.1016/S0040-6031(03)00126-6
. [all data]
Charapennikau, Blokhin, et al., 2003, 2
Charapennikau, M.B.; Blokhin, A.V.; Kabo, A.G.; Kabo, G.J.,
The heat capacities and parameters of solid phase transitions and fusion for 1- and 2-adamantanols,
The Journal of Chemical Thermodynamics, 2003, 35, 1, 145-157, https://doi.org/10.1016/S0021-9614(02)00317-8
. [all data]
Salman and Abas, 1989
Salman, S.R.; Abas, K.F.,
Thermal behaviour of 2-hydroxyadamantane,
Thermochim. Acta, 1989, 142, 2, 245, https://doi.org/10.1016/0040-6031(89)85022-1
. [all data]
Salman and Abas, 1989, 2
Salman, S.R.; Abas, K.F.,
Thermal behaviour of 2-hydroxyadamantane,
Thermmochim. Acta, 1989, 142(2), 245-249. [all data]
Salman and Abas, 1988
Salman, S.R.; Abas, K.F.,
Thermal behaviour of 2-hydroxyadamantane,
Thermochim. Acta, 1988, 136, 81-85. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tfus Fusion (melting) point 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 ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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