Cyclohexadecane
- Formula: C16H32
- Molecular weight: 224.4253
- IUPAC Standard InChI: InChI=1S/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2
- IUPAC Standard InChIKey: JJWIOXUMXIOXQN-UHFFFAOYSA-N
- CAS Registry Number: 295-65-8
- Chemical structure:
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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 |
|---|---|---|---|---|---|
| ΔcH°solid | -2501.43 ± 0.24 | kcal/mol | Ccb | Coops, Van Kamp, et al., 1960 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2501.24 ± 0.45 kcal/mol; Corresponding ΔfHºsolid = -96.41 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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 | 333.7 | K | N/A | Drotloff and Moller, 1987 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.3 K; DSC; TRC |
| Tfus | 332. | K | N/A | Björnstad, Borgen, et al., 1975 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 368.7 | 0.001 | Weast and Grasselli, 1989 | BS |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 0.999 | 332.2 | Björnstad, Borgen, et al., 1975, 2 | AC |
Entropy of fusion
| ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 16.59 | 271.2 | Björnstad, Borgen, et al., 1975 | CAL |
| 1.06 | 283.2 | ||
| 3.009 | 332.2 |
References
Go To: Top, 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.
Coops, Van Kamp, et al., 1960
Coops, J.; Van Kamp, H.; Lambregts, W.A.; Visser, B.J.; Dekker, H.,
Thermal quantities of cycloparaffins. Part IV. Heats of combustion of cycloparaffins with 10-17 C atoms,
Rec. Trav. Chim. Pays/Bas, 1960, 79, 1226-1234. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Drotloff and Moller, 1987
Drotloff, H.; Moller, M.,
On the phase transitions of cycloalkanes,
Thermochim. Acta, 1987, 112, 1, 57, https://doi.org/10.1016/0040-6031(87)88079-6
. [all data]
Björnstad, Borgen, et al., 1975
Björnstad, S.L.; Borgen, G.; Dale, J.; Gaupset, G.,
Syntheses and Conformational Properties of gem-Dimethyl Substituted Cyclohexadecanes.,
Acta Chem. Scand., 1975, 29b, 320, https://doi.org/10.3891/acta.chem.scand.29b-0320
. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Björnstad, Borgen, et al., 1975, 2
Björnstad, Sigrid L.; Borgen, Gerd; Dale, Johannes; Gaupset, Gudmund; Schroll, G.; Altona, C.,
Syntheses and Conformational Properties of gem-Dimethyl Substituted Cyclohexadecanes.,
Acta Chem. Scand., 1975, 29b, 320-324, https://doi.org/10.3891/acta.chem.scand.29b-0320
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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