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Cubane-1,4-dicarboylic acid dimethyl ester

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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 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
Deltafsolid-219.0 ± 2.1kJ/molCcrKirklin, Churney, et al., 1989ALS
Quantity Value Units Method Reference Comment
Deltacsolid-6218.1 ± 1.4kJ/molCcrKirklin, Churney, et al., 1989Corresponding «DELTA»fsolid = -219.01 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
251.1298.15Kirklin, Churney, et al., 1989DH

Phase change data

Go To: Top, Condensed phase thermochemistry 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein 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
Tfus437.8KN/AKirklin, Churney, et al., 1989, 2Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Deltavap88.5 ± 2.2kJ/molCGCRoux, Dávalos, et al., 2005AC
Quantity Value Units Method Reference Comment
Deltasub117.2 ± 3.9kJ/molVap+FusRoux, Dávalos, et al., 2005AC
Deltasub118.9 ± 3.8kJ/molEKirklin, Churney, et al., 1989ALS

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
41.000437.8N/AKirklin, Churney, et al., 1989DH
38.1438.2DSCRoux, Dávalos, et al., 2005AC
41.0437.8N/ADomalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
93.7437.8Kirklin, Churney, et al., 1989DH

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, Condensed phase thermochemistry data, Phase change data, Notes

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

Kirklin, Churney, et al., 1989
Kirklin, D.R.; Churney, K.L.; Domalski, E.S., Enthalpy of combustion of 1,4-dimethylcubane dicarboxylate, J. Chem. Thermodyn., 1989, 21, 1105-1113. [all data]

Kirklin, Churney, et al., 1989, 2
Kirklin, D.R.; Churney, K.L.; Domalski, E.S., Enthalpy of combustion of 1,4-dimethylcubane dicarboxylate, J. Chem. Thermodyn., 1989, 21, 1105. [all data]

Roux, Dávalos, et al., 2005
Roux, Maria Victoria; Dávalos, Juan Z.; Jiménez, Pilar; Notario, Rafael; Castaño, Obis; Chickos, James S.; Hanshaw, William; Zhao, Hui; Rath, Nigam; Liebman, Joel F.; Farivar, Behzad S.; Bashir-Hashemi, A., Cubane, Cuneane, and Their Carboxylates: A Calorimetric, Crystallographic, Calculational, and Conceptual Coinvestigation, J. Org. Chem., 2005, 70, 14, 5461-5470, https://doi.org/10.1021/jo050471+ . [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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