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Cyclohexadecane

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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
Deltacsolid-2501.43 ± 0.24kcal/molCcbCoops, Van Kamp, et al., 1960Reanalyzed by Cox and Pilcher, 1970, Original value = -2501.24 ± 0.45 kcal/mol; Corresponding «DELTA»fsolid = -96.41 kcal/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:
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
Tfus333.7KN/ADrotloff and Moller, 1987Crystal phase 1 phase; Uncertainty assigned by TRC = 0.3 K; DSC; TRC
Tfus332.KN/ABjörnstad, Borgen, et al., 1975Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
368.70.001Weast and Grasselli, 1989BS

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
0.999332.2Björnstad, Borgen, et al., 1975, 2AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
16.59271.2Björnstad, Borgen, et al., 1975CAL
1.06283.2
3.009332.2

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 60937

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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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS1883.Zeng, Zhao, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 80. C; Tend: 300. C
CapillaryHP-51880.Zhao J.Y., Liu J.M., et al., 200630. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
CapillaryHP-5MS1881.Lalel, Singh, et al., 200360. m/0.25 mm/0.25 «mu»m, He, 40. C @ 1. min, 3. K/min, 310. C @ 20. min

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCP Sil 8 CB1876.Radusiene, Judzentiene, et al., 200750. m/0.32 mm/0.25 «mu»m, Helium; Program: 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 280 0C (3 min)

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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]

Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D., Comparative analysis of volatile components from Clematis species growing in China, Anal. Chim. Acta., 2007, 595, 1-2, 328-339, https://doi.org/10.1016/j.aca.2006.12.022 . [all data]

Zhao J.Y., Liu J.M., et al., 2006
Zhao J.Y.; Liu J.M.; Zhang X.Y.; Liu Z.J.; Tsering T.; Zhong Y.; Nan P., Chemical composition of the volatiles of three wild Bergenia species from western China, Flavour Fragr. J., 2006, 21, 3, 431-434, https://doi.org/10.1002/ffj.1689 . [all data]

Lalel, Singh, et al., 2003
Lalel, H.J.D.; Singh, Z.; Chye Tan, S., Glycosidically-bound aroma volatile compounds in the skin and pulp of 'Kensington Pride' mango fruit at different stages of maturity, Postharvest Biol. Technol., 2003, 29, 2, 205-218, https://doi.org/10.1016/S0925-5214(02)00250-8 . [all data]

Radusiene, Judzentiene, et al., 2007
Radusiene, J.; Judzentiene, A.; Peciulyte, D.; Janulis, V., Essential Oil Composition and Antimicrobial Assay of Acorus calamus Leaves from Different Wild Populations, Plant Genetic Resources: Characterization and Utilization, 2007, 5, 1, 37-44, https://doi.org/10.1017/S1479262107390928 . [all data]


Notes

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