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
Δfsolid-52.34 ± 0.51kcal/molCcrKirklin, Churney, et al., 1989ALS
Quantity Value Units Method Reference Comment
Δcsolid-1486.16 ± 0.34kcal/molCcrKirklin, Churney, et al., 1989Corresponding Δfsolid = -52.345 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
60.01298.15Kirklin, 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, 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
Tfus437.8KN/AKirklin, Churney, et al., 1989, 2Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Δvap21.2 ± 0.53kcal/molCGCRoux, Dávalos, et al., 2005AC
Quantity Value Units Method Reference Comment
Δsub28.01 ± 0.93kcal/molVap+FusRoux, Dávalos, et al., 2005AC
Δsub28.42 ± 0.91kcal/molEKirklin, Churney, et al., 1989ALS

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
9.7992437.8N/AKirklin, Churney, et al., 1989DH
9.11438.2DSCRoux, Dávalos, et al., 2005AC
9.80437.8N/ADomalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
22.4437.8Kirklin, 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

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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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