Naphthalene, 2-chloro-

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas32.8 ± 2.4kcal/molCcbSmith, Bjellerup, et al., 1953Heat of formation derived by Cox and Pilcher, 1970

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
Δfsolid13.2 ± 2.0kcal/molCcbSmith, Bjellerup, et al., 1953Heat of formation derived by Cox and Pilcher, 1970; ALS
Quantity Value Units Method Reference Comment
Δcsolid-1198.5 ± 2.0kcal/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -1196.74 kcal/mol; ALS
Quantity Value Units Method Reference Comment
solid,1 bar48.310cal/mol*KN/AVan Miltenburg and Verdonk, 1991DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
56.319298.15Van Miltenburg and Verdonk, 1991T = 5 to 370 K. There is an extended solid-to-solid transition between 260 and 309 K, of two regions, between 260-290 and 290-309 K.; DH
35.9250.Loyzance, Rey-Lafon, et al., 1978T = 4.2 to 300 K. Data given graphically and estimated from graph. Transition at 308 K makes heat capacity at 298 K anomalous.; DH

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus332.KN/AKhanna, Khetarpal, et al., 1981Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple331.17KN/Avan Miltenburg and Verdonk, 1991Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Δvap14.9 ± 0.26kcal/molGSVerevkin, 2003Based on data from 332. to 362. K.; AC
Quantity Value Units Method Reference Comment
Δsub19.6 ± 1.4kcal/molVSmith, Bjellerup, et al., 1953Heat of formation derived by Cox and Pilcher, 1970; ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
13.8417.N/ADykyj, Svoboda, et al., 1999Based on data from 400. to 435. K.; AC
14.0373.GCLei, Wania, et al., 1999Based on data from 323. to 423. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
3.51332.Acree, 1991AC

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
309.crystaline, IIcrystaline, IVan Miltenburg and Verdonk, 1991DH
12.crystaline, IIIcrystaline, IILoyzance, Rey-Lafon, et al., 1978Anomalous transition.; DH
308.crystaline, IIcrystaline, ILoyzance, Rey-Lafon, et al., 1978Anomalous transition.; DH

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
3.3470331.17crystaline, IliquidVan Miltenburg and Verdonk, 1991DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
10.11331.17crystaline, IliquidVan Miltenburg and Verdonk, 1991DH

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:


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.

Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H., Heats of combustion of organic chloro compounds determined by the "quartz wool" method, Acta Chem. Scand., 1953, 7, 65. [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]

Van Miltenburg and Verdonk, 1991
Van Miltenburg, J.C.; Verdonk, M.L., Molar heat capacities of 2-chloronaphthalene at temperatures between 5K and 370K, J. Chem. Thermodynam., 1991, 23, 273-279. [all data]

Loyzance, Rey-Lafon, et al., 1978
Loyzance, P.L.; Rey-Lafon, M.; Bonjour, E., Vibrational and calorimetric study of polymorphism in 2-fluoro and 2-chloronaphthalene - nature of disorder, J. Phys. Chem. Solids, 1978, 39, 967-970. [all data]

Khanna, Khetarpal, et al., 1981
Khanna, M.S.; Khetarpal, S.C.; Lal, K.; Bhatnagar, H.L., Thermodynamic studies on melting of some alpha- and beta-halogen derivatives of napthalene, Indian J. Chem> Sect. A, 1981, 20, 544. [all data]

van Miltenburg and Verdonk, 1991
van Miltenburg, J.C.; Verdonk, M.L., Molar heat capacities of 2-chloronaphthalene at temperatures between 5 K and 370 K, J. Chem. Thermodyn., 1991, 23, 273-9. [all data]

Verevkin, 2003
Verevkin, Sergey P., Vapor pressures and enthalpies of vaporization of a series of 1- and 2-halogenated naphthalenes, The Journal of Chemical Thermodynamics, 2003, 35, 8, 1237-1251, https://doi.org/10.1016/S0021-9614(03)00051-X . [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Lei, Wania, et al., 1999
Lei, Ying Duan; Wania, Frank; Shiu, Wan Ying, Vapor Pressures of the Polychlorinated Naphthalenes, J. Chem. Eng. Data, 1999, 44, 3, 577-582, https://doi.org/10.1021/je9802827 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]


Notes

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