Tri-t-butylmethane
- Formula: C13H28
- Molecular weight: 184.3614
- IUPAC Standard InChI: InChI=1S/C13H28/c1-11(2,3)10(12(4,5)6)13(7,8)9/h10H,1-9H3
- IUPAC Standard InChIKey: LVLOQIPOJWLAEB-UHFFFAOYSA-N
- CAS Registry Number: 35660-96-9
- Chemical structure:
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -56.2 ± 1.0 | kcal/mol | Ccb | Verevkin, Nolke, et al., 1997 | |
| ΔfH°gas | -56.4 ± 0.6 | kcal/mol | Ccb | Flamm-ter Meer, Beckhaus, et al., 1986 |
Condensed phase thermochemistry data
Go To: Top, Gas 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:
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 | -69.8 ± 1.0 | kcal/mol | Ccb | Verevkin, Nolke, et al., 1997 | ALS |
| ΔfH°solid | -58.3 ± 0.6 | kcal/mol | Ccb | Flamm-ter Meer, Beckhaus, et al., 1986 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2109.2 ± 1.0 | kcal/mol | Ccb | Verevkin, Nolke, et al., 1997 | Corresponding ΔfHºsolid = -69.86 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -2120.83 ± 0.64 | kcal/mol | Ccb | Flamm-ter Meer, Beckhaus, et al., 1986 | Corresponding ΔfHºsolid = -58.25 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 |
|---|---|---|---|
| 84.80 | 298.15 | Meer, Beckhaus, et al., 1986 | DH |
References
Go To: Top, Gas phase thermochemistry data, 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.
Verevkin, Nolke, et al., 1997
Verevkin, S.P.; Nolke, M.; Beckhaus, H.D.; Ruchardt, C.,
Enthalpies of formation of hexaethylethane, octamethylhexane, and tri-tert-butylmethane. Extremely strained hydrocarbons,
J. Org. Chem., 1997, 62, 4683-4686. [all data]
Flamm-ter Meer, Beckhaus, et al., 1986
Flamm-ter Meer, M.A.; Beckhaus, H.D.; Ruchardt, C.,
Thermolabile kohlenwasserstoffe. XXIX. Verbrennungsenthalpie und sublimationsenthalpie von tri-tert-butylmethan,
Thermochim. Acta, 1986, 107, 331-338. [all data]
Meer, Beckhaus, et al., 1986
Meer, M.A.F.-T.; Beckhaus, H.D.; Ruechardt, C.,
Thermally unstable hydrocarbons. XXIX. Heat of combustion and heat of sublimation of tri(tert-butyl)methane,
Thermochim. Acta, 1986, 107, 331-338. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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