Homocubane-4-carboxylic acid
- Formula: C10H10O2
- Molecular weight: 162.1852
- IUPAC Standard InChI: InChI=1S/C10H10O2/c11-9(12)10-6-3-1-2-4(6)8(10)5(2)7(3)10/h2-8H,1H2,(H,11,12)
- IUPAC Standard InChIKey: MOOVPWJLDNIYBR-UHFFFAOYSA-N
- CAS Registry Number: 15844-05-0
- Chemical structure:
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Gas 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 0.6 | kcal/mol | Ccb | Beckhaus, Ruchardt, et al., 1984 | Hfusion=2.19 kcal/mol |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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 | -19.0 ± 0.9 | kcal/mol | Ccb | Beckhaus, Ruchardt, et al., 1984 | Hfusion=2.19 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1263.1 ± 0.9 | kcal/mol | Ccb | Beckhaus, Ruchardt, et al., 1984 | Hfusion=2.19 kcal/mol; Corresponding ΔfHºsolid = -19.0 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 |
|---|---|---|---|
| 49.5 | 298. | Beckhaus, Ruechardt, et al., 1984 | Cp given as 0.305 cal/g*K.; DH |
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 19.6 | kcal/mol | V | Beckhaus, Ruchardt, et al., 1984 | Hfusion=2.19 kcal/mol; ALS |
| ΔsubH° | 19.6 | kcal/mol | N/A | Beckhaus, Ruchardt, et al., 1984 | DRB |
References
Go To: Top, Gas phase thermochemistry data, 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.
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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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