4-Carbomethoxyhomocubane
- Formula: C11H12O2
- Molecular weight: 176.2118
- IUPAC Standard InChI: InChI=1S/C11H12O2/c1-13-10(12)11-7-4-2-3-5(7)9(11)6(3)8(4)11/h3-9H,2H2,1H3
- IUPAC Standard InChIKey: VZNFAXUDGDVVBT-UHFFFAOYSA-N
- CAS Registry Number: 40317-63-3
- Chemical structure:
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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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -12.9 ± 1.2 | kcal/mol | Ccb | Beckhaus, Ruchardt, et al., 1984 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1431.6 ± 1.2 | kcal/mol | Ccb | Beckhaus, Ruchardt, et al., 1984 | Corresponding ΔfHºliquid = -12.9 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 68.8 | 298. | Beckhaus, Ruechardt, et al., 1984 | Cp given as 0.391 cal/g*K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Beckhaus, Ruchardt, et al., 1984
Beckhaus, H.D.; Ruchardt, C.; Smisek, M.,
Anwendung von kraftfeldrechnungen. VI. Verbrennungsenthalpie und bildungsenthalpie von 4-carbomethoxy-homocuban und homocuban-4-carbonsaure-ein testfall zur berechnung von bildungsenthalpien nach dem kraftfeldverfahren,
Thermochim. Acta, 1984, 79, 149-159. [all data]
Beckhaus, Ruechardt, et al., 1984
Beckhaus, H.D.; Ruechardt, C.; Smisek, M.,
Application of force field calculations. VI. Heats of combustion and heats of formation of 4-carbomethyoxyhomocubane and homocubane-4-carboxylic acid - a test case for the calculation of heats of formation to the force field method,
Thermochim. Acta, 1984, 79, 149-159. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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