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Naphthalene, 1-bromo-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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
Deltafgas41.7 ± 1.3kcal/molCcrRibeiro da Silva, Ferrao, et al., 1993 

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
Deltafliquid26.67 ± 0.62kcal/molCcrRibeiro da Silva, Ferrao, et al., 1993 
Quantity Value Units Method Reference Comment
Deltacliquid-1206.3 ± 0.53kcal/molCcrRibeiro da Silva, Ferrao, et al., 1993 
Deltacliquid-1201.0 ± 0.2kcal/molCcrSmith and Bjellerup, 1947 

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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil554.2KN/AWeast and Grasselli, 1989BS
Tboil554.25KN/ACooper, Crowne, et al., 1967Uncertainty assigned by TRC = 0.7 K; TRC
Quantity Value Units Method Reference Comment
Tfus275.KN/AKhanna, Khetarpal, et al., 1981Uncertainty assigned by TRC = 1. K; TRC
Tfus279.25KN/ADeffet, 1940Uncertainty assigned by TRC = 0.2 K; TRC
Tfus279.25KN/ATimmermans and Hennaut-Roland, 1937Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Deltavap15.3 ± 0.1kcal/molGSVerevkin, 2003Based on data from 303. - 336. K.; AC
Deltavap15.0 ± 1.2kcal/molERibeiro da Silva, Ferrao, et al., 1993ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
14.0372.N/AStephenson and Malanowski, 1987Based on data from 357. - 555. K.; AC
10.9484.A,EBStephenson and Malanowski, 1987Based on data from 469. - 559. K. See also Hon, Singh, et al., 1976 and Dykyj, Svoboda, et al., 1999.; AC
13. ± 1.329.MEUrbani, Gigli, et al., 1980Based on data from 295. - 359. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
3.623271.4Acree, 1991AC

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:


Reaction 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

1-bromonaphthalen-4-ide anion + Hydrogen cation = Naphthalene, 1-bromo-

By formula: C10H6Br- + H+ = C10H7Br

Quantity Value Units Method Reference Comment
Deltar386.9 ± 3.5kcal/molBranWenthold and Squires, 1995gas phase; By HO- cleavage of substituted silanes; B
Quantity Value Units Method Reference Comment
Deltar379.1 ± 3.6kcal/molH-TSWenthold and Squires, 1995gas phase; By HO- cleavage of substituted silanes; B

C10H6Br- + Hydrogen cation = Naphthalene, 1-bromo-

By formula: C10H6Br- + H+ = C10H7Br

Quantity Value Units Method Reference Comment
Deltar387.4 ± 3.5kcal/molBranWenthold and Squires, 1995gas phase; By HO- cleavage of substituted silanes; B
Quantity Value Units Method Reference Comment
Deltar379.6 ± 3.6kcal/molH-TSWenthold and Squires, 1995gas phase; By HO- cleavage of substituted silanes; B

C6H7N+ + Naphthalene, 1-bromo- = (C6H7N+ bullet Naphthalene, 1-bromo-)

By formula: C6H7N+ + C10H7Br = (C6H7N+ bullet C10H7Br)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar15.8kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, References, Notes

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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Due to licensing restrictions, this spectrum cannot be downloaded.

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 Chemical Concepts
NIST MS number 161813

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.

Ribeiro da Silva, Ferrao, et al., 1993
Ribeiro da Silva, M.A.V.; Ferrao, M.L.C.C.H.; Lopes, A.J.M., Enthalpies of combustion of each of the two bromonaphthalenes, J. Chem. Thermodyn., 1993, 25, 229-235. [all data]

Smith and Bjellerup, 1947
Smith, L.; Bjellerup, L., Neue Versuche mit beweglicher calorimetrischer Bombe, Acta Chem. Scand., 1947, 1, 566-570. [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]

Cooper, Crowne, et al., 1967
Cooper, A.R.; Crowne, C.W.P.; Farrell, P.G., Gas-Liquid Chromatographic Studies of Electron-Donor-Acceptor Systems, Trans. Faraday Soc., 1967, 63, 447. [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]

Deffet, 1940
Deffet, L., Piezometric Research. Temperatures of Fusion and Transformation, Bull. Soc. Chim. Belg., 1940, 49, 223. [all data]

Timmermans and Hennaut-Roland, 1937
Timmermans, J.; Hennaut-Roland, M., Works from International Bureau at Physical-Chemical Standards. VIII. Physical constants of 20 organic compounds, J. Chim. Phys. Phys.-Chim. Biol., 1937, 34, 693. [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]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Hon, Singh, et al., 1976
Hon, Huynh C.; Singh, Rakesh P.; Kudchadker, Arvind P., Vapor pressure-boiling point measurements of five organic substances by twin ebulliometry, J. Chem. Eng. Data, 1976, 21, 4, 430-431, https://doi.org/10.1021/je60071a011 . [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]

Urbani, Gigli, et al., 1980
Urbani, Maria; Gigli, Rosario; Piacente, Vincenzo, Vaporization study of .alpha.-bromonaphthalene, J. Chem. Eng. Data, 1980, 25, 2, 97-100, https://doi.org/10.1021/je60085a002 . [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]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Determination of the gas-phase acidities of halogen-substituted aromatic compounds using the silane-cleavage method, J. Mass Spectrom., 1995, 30, 1, 17, https://doi.org/10.1002/jms.1190300105 . [all data]

El-Shall and Meot-Ner (Mautner), 1987
El-Shall, M.S.; Meot-Ner (Mautner), M., Ionic Charge Transfer Complexes. 3. Delocalised pi Systems as Electron Acceptors and Donors, J. Phys. Chem., 1987, 91, 5, 1088, https://doi.org/10.1021/j100289a017 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References