Cubane-1,4-dicarboylic acid dimethyl ester
- Formula: C12H12O4
- Molecular weight: 220.2213
- IUPAC Standard InChIKey: OXBMFCGRQJNAOY-UHFFFAOYSA-N
- CAS Registry Number: 29412-62-2
- Chemical structure:
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Condensed phase thermochemistry data
Go To: Top, Phase change 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:
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 |
---|---|---|---|---|---|
ΔfH°solid | -52.34 ± 0.51 | kcal/mol | Ccr | Kirklin, Churney, et al., 1989 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1486.16 ± 0.34 | kcal/mol | Ccr | Kirklin, Churney, et al., 1989 | Corresponding ΔfHºsolid = -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 |
---|---|---|---|
60.01 | 298.15 | Kirklin, Churney, et al., 1989 | DH |
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 |
---|---|---|---|---|---|
Tfus | 437.8 | K | N/A | Kirklin, Churney, et al., 1989, 2 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 21.2 ± 0.53 | kcal/mol | CGC | Roux, Dávalos, et al., 2005 | AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 28.01 ± 0.93 | kcal/mol | Vap+Fus | Roux, Dávalos, et al., 2005 | AC |
ΔsubH° | 28.42 ± 0.91 | kcal/mol | E | Kirklin, Churney, et al., 1989 | ALS |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.7992 | 437.8 | N/A | Kirklin, Churney, et al., 1989 | DH |
9.11 | 438.2 | DSC | Roux, Dávalos, et al., 2005 | AC |
9.80 | 437.8 | N/A | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
22.4 | 437.8 | Kirklin, Churney, et al., 1989 | DH |
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
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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