4,5,6-Trimethyl-2,3-benzoxalene
- Formula: C15H14O
- Molecular weight: 210.2711
- IUPAC Standard InChI: InChI=1S/C15H14O/c1-9-10(2)15-13-7-5-4-6-12(13)8-14(15)16-11(9)3/h4-8H,1-3H3
- IUPAC Standard InChIKey: RQRZTEYZJZHKQR-UHFFFAOYSA-N
- CAS Registry Number: 10435-68-4
- 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 | 0.5 | kcal/mol | Ccb | Geiseler, Quitzsch, et al., 1966 | Author's hf298_gas=58.4 kcal/mol |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -32.9 | kcal/mol | Ccb | Geiseler, Quitzsch, et al., 1966 | Author's hf298_gas=58.4 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1856.1 | kcal/mol | Ccb | Geiseler, Quitzsch, et al., 1966 | Author's hf298_gas=58.4 kcal/mol; Corresponding ΔfHºsolid = -32.9 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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° | 33.34 | kcal/mol | V | Geiseler, Quitzsch, et al., 1966 | Author's hf298_gas=58.4 kcal/mol; ALS |
| ΔsubH° | 33.46 | kcal/mol | N/A | Geiseler, Quitzsch, et al., 1966 | DRB |
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.
Geiseler, Quitzsch, et al., 1966
Geiseler, V.G.; Quitzsch, K.; Rauh, H.J.; Schaffernicht, H.; Walther, H.J.,
Bildungsenthalpien und Mesomerieenergien von π-Bindungssystemen 1. Mitteilung: Bildungsenthalpien und Mesomerieenergien einiger mehrkerniger Aromaten und verschiedener Pseudoazulene,
Ber. Bunsen-Ges. Phys. Chem., 1966, 70, 551-556. [all data]
Notes
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- Symbols used in this document:
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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