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:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
Go To: Top, Condensed 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 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, 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 | -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 |
Phase change data
Go To: Top, Gas phase thermochemistry data, 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 13.2 | kcal/mol | CGC-DSC | Chickos, Hesse, et al., 1998 | AC |
| ΔsubH° | 13.63 ± 0.10 | kcal/mol | V | Verevkin, Nolke, et al., 1997 | ALS |
| ΔsubH° | 13.6 | kcal/mol | N/A | Verevkin, Nolke, et al., 1997 | DRB |
| ΔsubH° | 1.84 ± 0.02 | kcal/mol | V | Flamm-ter Meer, Beckhaus, et al., 1986 | ALS |
| ΔsubH° | 1.9 | kcal/mol | N/A | Flamm-ter Meer, Beckhaus, et al., 1986 | DRB |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 13.6 ± 0.1 | 288. | T | Verevkin, Nolke, et al., 1997 | Based on data from 265. to 319. K.; AC |
| 13.8 ± 0.67 | 290. | HSA | Chickos, Hesse, et al., 1995 | Based on data from 273. to 306. K.; AC |
| 1.8 ± 0.02 | 311. | N/A | Meer, Beckhaus, et al., 1986 | Based on data from 295. to 330. K.; AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 0.844 | 358.2 | Meer, Beckhaus, et al., 1986 | AC |
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.
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]
Chickos, Hesse, et al., 1998
Chickos, James; Hesse, Donald; Hosseini, Sarah; Nichols, Gary; Webb, Paul,
Sublimation enthalpies at 298.15K using correlation gas chromatography and differential scanning calorimetry measurements,
Thermochimica Acta, 1998, 313, 2, 101-110, https://doi.org/10.1016/S0040-6031(97)00432-2
. [all data]
Chickos, Hesse, et al., 1995
Chickos, James S.; Hesse, Donald G.; Hosseini, Sarah; Liebman, Joel F.; David Mendenhall, G.; Verevkin, Sergej P.; Rakus, Klaus; Beckhaus, Hans-Dieter; Rüchardt, Christoph,
Enthalpies of vaporization of some highly branched hydrocarbons,
The Journal of Chemical Thermodynamics, 1995, 27, 6, 693-705, https://doi.org/10.1006/jcht.1995.0071
. [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 ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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