2,4,5,7-Tetramethyl-4,5-bis(4-tert-butylphenyl)octane
- Formula: C32H50
- Molecular weight: 434.7394
- IUPAC Standard InChI: InChI=1S/C32H50/c1-23(2)21-31(11,27-17-13-25(14-18-27)29(5,6)7)32(12,22-24(3)4)28-19-15-26(16-20-28)30(8,9)10/h13-20,23-24H,21-22H2,1-12H3
- IUPAC Standard InChIKey: MFHJPQMOWKNBEO-UHFFFAOYSA-N
- CAS Registry Number: 85668-75-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
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 | -254. ± 5.4 | kJ/mol | Ccb | Kratt, Beckhaus, et al., 1983 | ΔHfussion = 9.0±0.1 kcal/mol at 120°C, see Beckhaus, 1983 |
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 | -436.6 ± 4.8 | kJ/mol | Ccb | Kratt, Beckhaus, et al., 1983 | ΔHfussion = 9.0±0.1 kcal/mol at 120°C, see Beckhaus, 1983; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -19301.5 ± 4.8 | kJ/mol | Ccb | Kratt, Beckhaus, et al., 1983 | ΔHfussion = 9.0±0.1 kcal/mol at 120°C, see Beckhaus, 1983; Corresponding ΔfHºsolid = -436.56 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 683.9 | 298. | Kratt, Beckhaus, et al., 1983, 2 | Cp given as 0.376 cal/g*K.; 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 183. | kJ/mol | E | Kratt, Beckhaus, et al., 1983 | ΔHfussion = 9.0±0.1 kcal/mol at 120°C, see Beckhaus, 1983; ALS |
| ΔsubH° | 182.6 | kJ/mol | N/A | Kratt, Beckhaus, et al., 1983 | 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.
Kratt, Beckhaus, et al., 1983
Kratt, G.; Beckhaus, H.D.; Bernlohr, W.; Ruchardt, C.,
Thermolabile kohlenwasserstoffe. XVII. Verbrennungsenthalpie und bildungsenthalpie von zehn sym.-tetraalkyl-1,2-diarylethanen,
Thermochim. Acta, 1983, 62, 279-194. [all data]
Beckhaus, 1983
Beckhaus, H.D.,
Application of force field calculations. IV. Force field for the calculation of the structures and heats of formation of alkylbenzenes and its test of reliability on highly strained diphenylethanes,
Chem. Ber., 1983, 116, 86-96. [all data]
Kratt, Beckhaus, et al., 1983, 2
Kratt, G.; Beckhaus, H.D.; Bernioehr, W.; Ruechardt, C.,
Thermolabile hydrocarbons. XVII. Enthalpies of combustion and formation of ten sym-tetraalkyl-1,2-diarylethanes,
Thermochim. Acta, 1983, 62, 279-294. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.