Cycloheptane

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Gas 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
gas81.82 ± 0.30cal/mol*KN/AFinke H.L., 1956 

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.06850.Dorofeeva O.V., 1986Discrepancies between recommended Cp(T) values and those calculated by molecular mechanics method [ Chang S., 1970] amount to 3.6-7.7 J/mol*K; discrepancies in S(T) values increase at high temperatures up to 2.3 J/mol*K for 500 K.
12.46100.
16.35150.
20.76200.
28.592273.15
31.55 ± 0.84298.15
31.773300.
43.793400.
54.606500.
63.683600.
71.231700.
77.555800.
82.902900.
87.4501000.
91.3311100.
94.6561200.
97.5121300.
99.9711400.
102.101500.

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-37.39 ± 0.41kcal/molCcbSpitzer and Huffman, 1947Reanalyzed by Cox and Pilcher, 1970, Original value = -37.73 ± 0.56 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-1098.7 ± 0.2kcal/molCcbKozina, Skuratov, et al., 1961Corresponding Δfliquid = -37.9 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1098.9 ± 0.1kcal/molCcbKaarsemaker and Coops, 1952Corresponding Δfliquid = -37.72 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1099.17 ± 0.40kcal/molCcbSpitzer and Huffman, 1947Reanalyzed by Cox and Pilcher, 1970, Original value = -1099.09 ± 0.40 kcal/mol; Corresponding Δfliquid = -37.39 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1096.2kcal/molCcbZubova, 1901Corresponding Δfliquid = -40.4 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid57.971cal/mol*KN/AFinke, Scott, et al., 1956DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
43.1678298.15Fortier, D'Arcy, et al., 1979DH
43.133298.15Jolicoeur, Boileau, et al., 1975DH
43.200298.15Finke, Scott, et al., 1956T = 12 to 300 K.; DH

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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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-3926
NIST MS number 231525

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Finke H.L., 1956
Finke H.L., Cycloheptane, cyclooctane, and 1,3,5-cycloheptatriene. Low-temperature thermal properties, vapor pressure, and derived chemical thermodynamic properties, J. Am. Chem. Soc., 1956, 78, 5469-5476. [all data]

Dorofeeva O.V., 1986
Dorofeeva O.V., Thermodynamic properties of twenty-one monocyclic hydrocarbons, J. Phys. Chem. Ref. Data, 1986, 15, 437-464. [all data]

Chang S., 1970
Chang S., The heats of combustion and strain energies of bicyclo[n.m.0]alkanes, J. Am. Chem. Soc., 1970, 92, 3109-3118. [all data]

Spitzer and Huffman, 1947
Spitzer, R.; Huffman, H.M., The heats of combustion of cyclopentane, cyclohexane, cycloheptane and cyclooctane, J. Am. Chem. Soc., 1947, 69, 211-213. [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]

Kozina, Skuratov, et al., 1961
Kozina, M.P.; Skuratov, S.M.; Shtekher, S.M.; Sosnina, I.E.; Turova-Polyak, M.B., Heats of combustion of some bicyclanes, Russ. J. Phys. Chem. (Engl. Transl.), 1961, 35, 1144-1146. [all data]

Kaarsemaker and Coops, 1952
Kaarsemaker, S.; Coops, J., Thermal quantities of some cycloparaffins. Part III. Results of measurements, Rec. Trav. Chim. Pays/Bas, 1952, 71, 261. [all data]

Zubova, 1901
Zubova, P., Data about heat of combustion of compound cycle structure, Zh. Fiz. Khim., 1901, 33, 708-722. [all data]

Finke, Scott, et al., 1956
Finke, H.L.; Scott, D.W.; Gross, M.E.; Messerly, J.F.; Waddington, G., Cycloheptane, cyclooctane and 1,3,5-cycloheptatriene. Low temperature thermal properties, vapor pressure and derived chemical thermodynamic properties, J. Am. Chem. Soc., 1956, 78, 5469-5476. [all data]

Fortier, D'Arcy, et al., 1979
Fortier, J.-L.; D'Arcy, P.J.; Benson, G.C., Heat capacities of binary cycloalkane mixtures at 298.15 K, Thermochim. Acta, 1979, 28, 37-43. [all data]

Jolicoeur, Boileau, et al., 1975
Jolicoeur, C.; Boileau, J.; Bazinet, S.; Picker, P., Thermodynamic properties of aqueous organic solutes in relation to their structure. Part II. Apparent molal volumes and heat capacities of c-alkylamine hydrobromides in water, Can. J. Chem., 1975, 53, 716-722. [all data]


Notes

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