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Naphthalene, 2-bromo-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas175.6 ± 2.3kJ/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
Deltafsolid94.4 ± 2.1kJ/molCcrRibeiro da Silva, Ferrao, et al., 1993 
Quantity Value Units Method Reference Comment
Deltacsolid-5029.9 ± 1.7kJ/molCcrRibeiro da Silva, Ferrao, et al., 1993 

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

Quantity Value Units Method Reference Comment
Tboil554.7KN/AWeast and Grasselli, 1989BS
Tboil554.15KN/ACooper, Crowne, et al., 1967Uncertainty assigned by TRC = 0.7 K; TRC
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
Deltavap66.1 ± 0.4kJ/molGSVerevkin, 2003Based on data from 330. - 360. K.; AC
Quantity Value Units Method Reference Comment
Deltasub81.2 ± 1.0kJ/molCRibeiro da Silva, Ferrao, et al., 1993ALS
Deltasub81.2 ± 1.0kJ/molCda Silva, 1993AC
Deltasub64. ± 5.kJ/molTE,MEFerro, Piacente, et al., 1981Based on data from 275. - 378. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
42.5354.N/ADykyj, Svoboda, et al., 1999Based on data from 330. - 378. K.; AC
40.4340.ME,TEFerro, Piacente, et al., 1981Based on data from 322. - 359. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
14.4329.Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
18.09319.Domalski and Hearing, 1996CAL
43.76329.

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
5.770319.crystaline, IIIcrystaline, IChanh, Haget, et al., 1981DH
14.400329.crystaline, IliquidChanh, Haget, et al., 1981A second order transition occurs between crystalline phases c,I and c,II over the temperature range 275 to 319 K.; DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
18.09319.crystaline, IIIcrystaline, IChanh, Haget, et al., 1981DH
43.77329.crystaline, IliquidChanh, Haget, et al., 1981A; DH

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 by: John E. Bartmess

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

2-bromonaphthalen-7-ide anion + Hydrogen cation = Naphthalene, 2-bromo-

By formula: C10H6Br- + H+ = C10H7Br

Quantity Value Units Method Reference Comment
Deltar1633. ± 14.kJ/molBranWenthold and Squires, 1995gas phase; By HO- cleavage of substituted silanes
Quantity Value Units Method Reference Comment
Deltar1600. ± 14.kJ/molH-TSWenthold and Squires, 1995gas phase; By HO- cleavage of substituted silanes

Gas phase ion energetics 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
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference Comment
8.18 ± 0.03TRPIGotkis, Naor, et al., 1993LL

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C10H7+11.29BrDERGotkis, Naor, et al., 1993LL
C10H7+12.1 ± 0.1BrTRPIGotkis, Naor, et al., 1993LL

De-protonation reactions

2-bromonaphthalen-7-ide anion + Hydrogen cation = Naphthalene, 2-bromo-

By formula: C10H6Br- + H+ = C10H7Br

Quantity Value Units Method Reference Comment
Deltar1633. ± 14.kJ/molBranWenthold and Squires, 1995gas phase; By HO- cleavage of substituted silanes; B
Quantity Value Units Method Reference Comment
Deltar1600. ± 14.kJ/molH-TSWenthold and Squires, 1995gas phase; By HO- cleavage of substituted silanes; B

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible 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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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 NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

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, Gas phase ion energetics data, IR Spectrum, UV/Visible 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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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 Japan AIST/NIMC Database- Spectrum MS-NW-1816
NIST MS number 228719

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.


UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source McClure, Blake, et al., 1954
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 994
Instrument n.i.g.
Melting point 59
Boiling point 281.5

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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]

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]

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]

da Silva, 1993
da Silva, M., Enthalpies of combustion of each of the two bromonaphthalenes, Z. Chem., 1993, 25, 2, 229-235, https://doi.org/10.1006/jcht.1993.1022 . [all data]

Ferro, Piacente, et al., 1981
Ferro, D.; Piacente, V.; Pelino, M., Rev. Roum. Chim., 1981, 26, 9. [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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Chanh, Haget, et al., 1981
Chanh, N.B.; Haget, Y.; Meresse, A.; Louer, D.; Shirley, R., Destructive and nondestructive phase transitions of the molecular crystal 2-bromonaphthalene, J. Phys. Chem. Solids, 1981, 42, 217-225. [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]

Gotkis, Naor, et al., 1993
Gotkis, Y.; Naor, M.; Laskin, J.; Lifshitz, C.; Faulk, J.D.; Dunbar, R.C., Time-resolved dissociation of bromonaphthalene ion studied by TPIMS and TRPD. Heat of formation of naphthyl ion, J. Am. Chem. Soc., 1993, 115, 7402. [all data]

McClure, Blake, et al., 1954
McClure, D.S.; Blake, N.W.; Hanst, P.L., Singlet-triplet absorption bands in some halogen substituted aromatic compounds, J. Chem. Phys., 1954, 22, 2, 255-258. [all data]


Notes

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