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1,3,5-Cycloheptatriene

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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 - R.L. Brown and S.E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, M. Frenkel director
ALS - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
AC - W.E. Acree, Jr., J.S. Chickos
CAL - J.S. Chickos, W.E. Acree, Jr., J.F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - E.S. Domalski and E.D. Hearing

QuantityValueUnitsMethodReferenceComment
Tboil389.7KN/AAldrich Chemical Company Inc., 1990BS
QuantityValueUnitsMethodReferenceComment
Ttriple197.92KN/AMcCullough and Waddington, 1957Uncertainty assigned by TRC = 0.07 K; IPTS-48; TRC
Ttriple197.91KN/AFinke, Scott, et al., 1956Crystal phase 1 phase; Uncertainty assigned by TRC = 0.07 K; TRC
Ttriple197.92KN/AFinke, Scott, et al., 1956Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC
QuantityValueUnitsMethodReferenceComment
Deltavap38.70 ± 0.21kJ/molVFinke, Scott, et al., 1956, 2ALS
Deltavap38.7 ± 0.2kJ/molN/AFinke, Scott, et al., 1956, 3AC

Reduced pressure boiling point

Tboil (K)Pressure (bar)ReferenceComment
390.20.999Weast and Grasselli, 1989BS
333.70.163Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol)Temperature (K)MethodReferenceComment
40.8288.AStephenson and Malanowski, 1987Based on data from 273. - 338. K. See also Kkykj and Repas, 1973.; AC
39.4288.A,EBStephenson and Malanowski, 1987Based on data from 273. - 416. K. See also Finke, Scott, et al., 1956, 3.; AC

Antoine Equation Parameters

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

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Temperature (K)ABCReferenceComment
273. - 338.4.185111422.104-48.151Finke, Scott, et al., 1956, 3Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol)Temperature (K)ReferenceComment
1.16198.Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K)Temperature (K)ReferenceComment
15.24154.0Domalski and Hearing, 1996CAL
5.86198.0

Enthalpy of phase transition

DeltaHtrs (kJ/mol)Temperature (K)Initial PhaseFinal PhaseReferenceComment
2.3468153.98crystaline, IIcrystaline, IFinke, Scott, et al., 1956, 3DH
1.1606197.92crystaline, IliquidFinke, Scott, et al., 1956, 3DH

Entropy of phase transition

DeltaStrs (J/mol*K)Temperature (K)Initial PhaseFinal PhaseReferenceComment
15.24153.98crystaline, IIcrystaline, IFinke, Scott, et al., 1956, 3DH
5.86197.92crystaline, IliquidFinke, Scott, et al., 1956, 3DH

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.

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

McCullough and Waddington, 1957
McCullough, J.P.; Waddington, G., Melting-point purity determinations: limitations as evidenced by calorimetric studies in the melting region, Anal. Chim. Acta, 1957, 17, 80. [all data]

Finke, Scott, et al., 1956
Finke, H.L.; Scott, D.W.; Gross, M.E.; Messerly, J.F.; Waddington, G., Cycloheptane, Cyclooctane and 1,3,5-Cycloheptatriene. Low Temperature Thermal Properties, Vapor Pressure and Derived Chemical Thermodynamic Prop., J. Am. Chem. Soc., 1956, 78, 5469. [all data]

Finke, Scott, et al., 1956, 2
Finke, H.L.; Scott, D.W.; Gross, M.E.; Messerly, J.F.; Waddington, G., Cycloheptane, cyclooctane and 1,3,5-cycloheptatriene. Low temperature thermal properties, vapor pressure and derived chemical thermodynamic properties, J. Am. Chem. Soc., 1956, 78, 5469-54. [all data]

Finke, Scott, et al., 1956, 3
Finke, H.L.; Scott, D.W.; Gross, M.E.; Messerly, J.F.; Waddington, G., Cycloheptane, cyclooctane and 1,3,5-cycloheptatriene. Low temperature thermal properties, vapor pressure and derived chemical thermodynamic properties, J. Am. Chem. Soc., 1956, 78, 5469-5476. [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]

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

Kkykj and Repas, 1973
Kkykj, J.; Repas, M., Petrochemia, 1973, 13, 179. [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. [doi:10.1063/1.555985] [all data]


Notes

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