Benzene, 1,2-difluoro-

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, 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 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-319.2 ± 0.92kJ/molCcrGood, Lacina, et al., 1962Corrected for CODATA value of ΔfH; ALS
Quantity Value Units Method Reference Comment
Δcliquid-2960.7 ± 0.54kJ/molCcrGood, Lacina, et al., 1962Corrected for CODATA value of ΔfH; ALS
Quantity Value Units Method Reference Comment
liquid222.59J/mol*KN/AScott, Messerly, et al., 1963DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
159.03298.15Scott, Messerly, et al., 1963T = 14 to 357 K.; DH
159.4298.15Good, Lacina, et al., 1962DH

Phase change data

Go To: Top, Condensed phase 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 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil365.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil364. to 365.KN/APCR Inc., 1990BS
Tboil367.1KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Ttriple226.010KN/AScott, Messerly, et al., 1963, 2Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Tc557.3KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap36.24kJ/molN/AMajer and Svoboda, 1985 
Δvap36.2kJ/molN/ABoublik, Fried, et al., 1984Based on data from 300. to 400. K. See also Basarová and Svoboda, 1991.; AC
Δvap36.2kJ/molVScott, Messerly, et al., 1963, 3hfusion=2.64kcal/mol; ALS
Δvap36.2 ± 0.08kJ/molVGood, Lacina, et al., 1962Corrected for CODATA value of ΔfH; ALS

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
364.71.00Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
32.21367.1N/AMajer and Svoboda, 1985 
35.5319.EBScott, Messerly, et al., 1963, 3Based on data from 304. to 403. K. See also Boublik, Fried, et al., 1984.; AC
34.6 ± 0.1327.CScott, Messerly, et al., 1963, 3AC
33.5 ± 0.1345.CScott, Messerly, et al., 1963, 3AC
32.2 ± 0.1367.CScott, Messerly, et al., 1963, 3AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A (kJ/mol) β Tc (K) Reference Comment
298. to 367.51.350.2691557.3Majer and Svoboda, 1985 

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
304.31 to 403.404.145211310.271-50.563Scott, Messerly, et al., 1963Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
11.046226.01Scott, Messerly, et al., 1963DH
11.05226.Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
48.87226.01Scott, Messerly, et al., 1963DH

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:


IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


References

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

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

Good, Lacina, et al., 1962
Good, W.D.; Lacina, J.L.; Scott, D.W.; McCullough, J.P., Combustion calorimetry of organic fluorine compounds. The heats of combustion and formation of the difluorobenzenes, 4-fluorotoluene and m-trifluorotoluic acid, J. Phys. Chem., 1962, 66, 1529-1532. [all data]

Scott, Messerly, et al., 1963
Scott, D.W.; Messerly, J.F.; Todd, S.S.; Hossenlopp, I.A.; Osborn, A.; McCullough, J.P., 1,2-Difluorobenzene: Chemical thermodynamic properties and vibrational assignment, J. Chem. Phys., 1963, 38, 532-539. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Scott, Messerly, et al., 1963, 2
Scott, D.W.; Messerly, J.F.; Todd, S.S.; Hossenlopp, I.A.; Osborn, A.G.; McCullough, J.P., 1,2-difluorobenzene: chemical thermodynamic properties and vibrational assignment, J. Chem. Phys., 1963, 38, 532-9. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Basarová and Svoboda, 1991
Basarová, Pavlína; Svoboda, Václav, Calculation of heats of vaporization of halogenated hydrocarbons from saturated vapour pressure data, Fluid Phase Equilibria, 1991, 68, 13-34, https://doi.org/10.1016/0378-3812(91)85008-I . [all data]

Scott, Messerly, et al., 1963, 3
Scott, D.W.; Messerly, J.F.; Todd, S.S.; Hossenlopp, I.A.; Osborn, A.; McCullough, J.P., 1,2-Difluorobenzene: Chemical thermodynamic properties and vibrationnal assignment, J. Chem. Phys., 1963, 38, 532. [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]

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]


Notes

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