2,2,6,6-Tetramethyl-4-heptanone
- Formula: C11H22O
- Molecular weight: 170.2918
- IUPAC Standard InChI: InChI=1S/C11H22O/c1-10(2,3)7-9(12)8-11(4,5)6/h7-8H2,1-6H3
- IUPAC Standard InChIKey: LPKATDGGXXEZFL-UHFFFAOYSA-N
- CAS Registry Number: 4436-99-1
- 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 | -421.2 ± 3.2 | kJ/mol | Ccr | Seller, 1971 |
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°liquid | -474.1 ± 3.5 | kJ/mol | Ccr | Seller, 1971 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -6998.6 ± 2.2 | kJ/mol | Ccr | Seller, 1971 | Corresponding ΔfHºliquid = -474.12 kJ/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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 52.9 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
| ΔvapH° | 52.9 ± 0.2 | kJ/mol | C | Sellers, Holm, et al., 1971 | AC |
| ΔvapH° | 52.9 ± 0.2 | kJ/mol | C | Seller, 1971 | ALS |
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.
Seller, 1971
Seller, P.,
Enthalpy of formation of 2,2,6,6-tetramethyl-4-heptanone,
Acta Chem. Scand., 1971, 25, 2099-2102. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Sellers, Holm, et al., 1971
Sellers, Peter; Holm, J.L.; Welch, B.J.; Prelesnik, A.; Zupancic, I.; Ehrenberg, L.,
Enthalpy of Formation of 2,2,6,6-Tetramethyl-4-heptanone.,
Acta Chem. Scand., 1971, 25, 2099-2102, https://doi.org/10.3891/acta.chem.scand.25-2099
. [all data]
Notes
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- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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