Adamantane, 1,3-dimethyl-
- Formula: C12H20
- Molecular weight: 164.2872
- IUPAC Standard InChIKey: CWNOIUTVJRWADX-UHFFFAOYSA-N
- CAS Registry Number: 702-79-4
- 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: Tricyclo[3.3.1.1(3,7)]decane, 1,3-dimethyl-; 1,3-Dimethyladamantane; 1,3-dimethyltricyclo[3.3.1.13,7]decane
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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
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 471. | K | N/A | Anonymous, 1969 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 245.0 | K | N/A | Clark, Knox, et al., 1977 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 708. | K | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 30.00 | bar | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 2.50 bar; from extraploation of obs. vapor pressures to Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.750 | mol/l | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 0.073 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 49.7 ± 0.2 | kJ/mol | C | Varushchenko, Pashchenko, et al., 2001 | AC |
ΔvapH° | 49.4 ± 0.3 | kJ/mol | EB | Steele, Chirico, et al., 1996, 2 | Based on data from 352. to 526. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 68. ± 1. | kJ/mol | V | Steele and Watt, 1977 | ALS |
ΔsubH° | 68.0 | kJ/mol | N/A | Steele and Watt, 1977 | DRB |
ΔsubH° | 67.8 ± 1.3 | kJ/mol | EB | Steele and Watt, 1977 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
49.2 ± 0.2 | 308. | C | Varushchenko, Pashchenko, et al., 2001 | AC |
45.9 ± 0.3 | 360. | EB | Steele, Chirico, et al., 1996, 2 | Based on data from 352. to 526. K.; AC |
43.7 ± 0.3 | 400. | EB | Steele, Chirico, et al., 1996, 2 | Based on data from 352. to 526. K.; AC |
41.5 ± 0.3 | 440. | EB | Steele, Chirico, et al., 1996, 2 | Based on data from 352. to 526. K.; AC |
39.1 ± 0.3 | 480. | EB | Steele, Chirico, et al., 1996, 2 | Based on data from 352. to 526. K.; AC |
36.4 ± 0.3 | 520. | EB | Steele, Chirico, et al., 1996, 2 | Based on data from 352. to 526. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
1.54 | 247.8 | AC | Varushchenko, Druzhinina, et al., 2005 | Based on data from 8. to 373. K.; AC |
0.94 | 244. | DSC | Arntz and Schneider, 1980 | AC |
0.92 | 245. | N/A | Clark, Knox, et al., 1977 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
33.3 | 221. | Clark, Knox, et al., 1977 | CAL |
3.76 | 245. |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Anonymous, 1969
Anonymous, R.,
Freon Fluorocarbons - properties and applications, E. I. Du Pont, Freon Product Information, B-2, 1969. [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]
Steele, Chirico, et al., 1996
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.,
Vapor pressure of acetophenone, (+-)-1,2-butanediol, (+-)-1,3-butanediol, diethylene glycol monopropyl ether, 1,3-dimethyladamantane, 2-ethoxyethyl acetate, ethyl octyl sufide, and pentyl acetate,
J. Chem. Eng. Data, 1996, 41, 1255-68. [all data]
Varushchenko, Pashchenko, et al., 2001
Varushchenko, R.M.; Pashchenko, L.L.; Druzhinina, A.I.; Abramenkov, A.V.; Pimersin, A.A.,
Thermodynamics of vaporization of some alkyladamantanes,
The Journal of Chemical Thermodynamics, 2001, 33, 7, 733-744, https://doi.org/10.1006/jcht.2000.0773
. [all data]
Steele, Chirico, et al., 1996, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.,
Vapor Pressure of Acetophenone, (±)-1,2-Butanediol, (±)-1,3-Butanediol, Diethylene Glycol Monopropyl Ether, 1,3-Dimethyladamantane, 2-Ethoxyethyl Acetate, Ethyl Octyl Sulfide, and Pentyl Acetate,
J. Chem. Eng. Data, 1996, 41, 6, 1255-1268, https://doi.org/10.1021/je9601117
. [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]
Varushchenko, Druzhinina, et al., 2005
Varushchenko, R.M.; Druzhinina, A.I.; Senyavin, V.M.; Sarkisova, V.S.,
The low-temperature heat capacities, phase transitions and thermodynamic properties of 1,3-dimethyladamantane and 1-ethyladamantane,
The Journal of Chemical Thermodynamics, 2005, 37, 2, 141-151, https://doi.org/10.1016/j.jct.2004.06.009
. [all data]
Arntz and Schneider, 1980
Arntz, Horst; Schneider, Gerhard M.,
Calorimetric investigations of plastic crystals at low temperatures and high pressures with differential scanning calorimetry,
Faraday Discuss. Chem. Soc., 1980, 69, 139, https://doi.org/10.1039/dc9806900139
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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