Benzene, 1,2-dibromo-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Condensed phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, 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: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
196.8298.15Narbutt, 1918T = 200 to 375 K. Cp = 0.17994 + 0.0002140t. Cp value calculated from equation.

Phase change data

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References, Notes

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil498.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus280.KN/ADreisbach, 1955Uncertainty assigned by TRC = 0.02 K; TRC
Tfus278.42KN/ADreisbach and Martin, 1949Uncertainty assigned by TRC = 0.05 K; TRC
Tfus275.KN/ATimmermans, 1935Uncertainty assigned by TRC = 1.5 K; TRC
Tfus274.95KN/ANarbutt, 1918, 2Uncertainty assigned by TRC = 0.5 K; TRC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
50.1403.AStephenson and Malanowski, 1987Based on data from 388. to 568. K. See also Dykyj, 1972.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
12.61275.Acree, 1991AC
13.587274.95Narbutt, 1918DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
49.4274.95Narbutt, 1918DH

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:


Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes

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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.98 ± 0.02PIPECOOlesik, Baer, et al., 1986LBLHLM
8.91 ± 0.02PIMoini and Leroi, 1986LBLHLM
8.9PEKimura, Katsumata, et al., 1981LLK
9.05PEKimura, Katsumata, et al., 1981Vertical value; LLK
8.99 ± 0.03PECvitas and Klasinc, 1977Vertical value; LLK
9.02PEStreets and Ceasar, 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H4+12.4 ± 0.1Br2PIMoini and Leroi, 1986LBLHLM
C6H4Br+12.16 ± 0.05BrPIMoini and Leroi, 1986LBLHLM

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes

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

Narbutt, 1918
Narbutt, J., Die Spezifischen Warmen und Schmelzwarmen der dichloro-, chlorbrom-, dibrom-, bromjod-, und dijodbenzole. I, Z. Elektrochem., 1918, 24, 339-342. [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]

Dreisbach, 1955
Dreisbach, R.R., Physical Properties of Chemical Compounds, Advances in Chemistry Series No. 15, Am. Chem. Soc.: Washington, D. C., 1955. [all data]

Dreisbach and Martin, 1949
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 2875-8. [all data]

Timmermans, 1935
Timmermans, J., Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds., Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]

Narbutt, 1918, 2
Narbutt, J., The specific heats and heats of melting of dichlorobenzene, bromochlorobenzene, dibromobenzene, bromiodobenzene and diiodobenzenes: I, Z. Elektrochem. Angew. Phys. Chem., 1918, 24, 339-42. [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]

Dykyj, 1972
Dykyj, J., Petrochemia, 1972, 12, 1, 13. [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]

Olesik, Baer, et al., 1986
Olesik, S.; Baer, T.; Morrow, J.C., Dissociation rates of energy-selected dichloro- and dibromobenzene ions, J. Phys. Chem., 1986, 90, 3563. [all data]

Moini and Leroi, 1986
Moini, M.; Leroi, G.E., Photoionization and fragmentation of o-, m- and p-dibromobenzene: Isomer scrambling and product thermochemistry, J. Phys. Chem., 1986, 90, 4002. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Cvitas and Klasinc, 1977
Cvitas, T.; Klasinc, L., Photoelectron spectra of bromobenzenes, Croat. Chem. Acta., 1977, 50, 291. [all data]

Streets and Ceasar, 1973
Streets, D.G.; Ceasar, G.P., Inductive mesomeric effects on the π orbitals of halobenzenes, Mol. Phys., 1973, 26, 1037. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References