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Benzothiazole

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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil504.2KN/AWeast and Grasselli, 1989BS
Tboil496. - 498.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Tfus275.29KN/AWitschonke, 1954Crystal phase 1 phase; Uncertainty assigned by TRC = 0.35 K; TRC
Tfus276.05KN/AWitschonke, 1954Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Tfus273.88KN/AWitschonke, 1954Metastable crystal phase; Uncertainty assigned by TRC = 0.35 K; TRC
Tfus274.95KN/AWitschonke, 1954Metastable crystal phase; Uncertainty assigned by TRC = 0.25 K; TRC
Quantity Value Units Method Reference Comment
Ttriple275.650KN/ASteele, Chirico, et al., 1992Crystal phase 1 phase; Uncertainty assigned by TRC = 0.003 K; TRC
Ttriple275.60KN/AGoursot and Westrum, 1969Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Deltavap14.37kcal/molVSteele, Chirico, et al., 1992, 2DSC; ALS
Quantity Value Units Method Reference Comment
Deltasub17.4 ± 0.1kcal/molBSabbah and Hevia, 1998AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
392. - 393.0.033Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
14.0320.EBSteele, Chirico, et al., 1992AC
13.4360.EBSteele, Chirico, et al., 1992AC
12.8400.EBSteele, Chirico, et al., 1992AC
12.2440.EBSteele, Chirico, et al., 1992AC
11.6480.EBSteele, Chirico, et al., 1992AC
10.9520.EBSteele, Chirico, et al., 1992AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
3.0550275.60N/AGoursot and Westrum, 1969, 2DH
3.0550275.596N/AGoursot and Westrum, 1968DH
2.856275.5DTASabbah and Hevia, 1998AC
3.06275.6N/ADomalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
11.09275.60Goursot and Westrum, 1969, 2DH
11.09275.596Goursot and Westrum, 1968DH

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.00894245.0crystaline, IIcrystaline, ISteele, Chirico, et al., 1992DH
3.0093275.651crystaline, IliquidSteele, Chirico, et al., 1992DH

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, Phase change data, Notes

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

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]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Witschonke, 1954
Witschonke, C.R., Freezing point and purity data for some organic compounds, Anal. Chem., 1954, 26, 562-4. [all data]

Steele, Chirico, et al., 1992
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., The thermodynamic properties of benzothiazole and benzoxazole, J. Chem. Thermodynam., 1992, 24, 499-529. [all data]

Goursot and Westrum, 1969
Goursot, P.; Westrum, E.F., Heat capacity and thermodynamic properties of benzothiazole from 5 to 320 K, J. Chem. Eng. Data, 1969, 14, 1. [all data]

Steele, Chirico, et al., 1992, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., The thermodynamic properties of benzothiazole and benzoxazole, J. Chem. Thermodyn., 1992, 24, 449-529. [all data]

Sabbah and Hevia, 1998
Sabbah, R.; Hevia, R., Energetique des liaisons intermoleculaires dans les molecules de benzoxazole et de benzothiazole, Thermochim. Acta, 1998, 313, 131-136. [all data]

Goursot and Westrum, 1969, 2
Goursot, P.; Westrum, E.F., Jr., Heat capacity and thermodynamic properties of benzothiazole from 5° to 320°K, J. Chem. Eng. Data, 1969, 14, 1-3. [all data]

Goursot and Westrum, 1968
Goursot, P.; Westrum, E.F., Measure de la capacite calorifique du benzothiazole de 4 a 320K, C.R. Acad. Sc. Paris, Ser., 1968, C 266, 1267-1268. [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

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