3,4-Diethyl-3,4-bis(4-tert-butylphenyl)-hexane
- Formula: C30H46
- Molecular weight: 406.6862
- IUPAC Standard InChI: InChI=1S/C30H46/c1-11-22(4)27(23-14-16-24(17-15-23)28(5,6)7)30(12-2,13-3)26-20-18-25(19-21-26)29(8,9)10/h14-22,27H,11-13H2,1-10H3
- IUPAC Standard InChIKey: WNLBDFYTLIBLQU-UHFFFAOYSA-N
- CAS Registry Number: 85668-74-2
- Chemical structure:
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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 | -170. ± 3. | kJ/mol | Ccb | Kratt, Beckhaus, et al., 1983 | ΔHfussion = 7.1±0.1 kcal/mol at 127°C |
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 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 | -337.7 ± 1.3 | kJ/mol | Ccb | Kratt, Beckhaus, et al., 1983 | ΔHfussion = 7.1±0.1 kcal/mol at 127°C; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -18041.6 ± 1.3 | kJ/mol | Ccb | Kratt, Beckhaus, et al., 1983 | ΔHfussion = 7.1±0.1 kcal/mol at 127°C; Corresponding ΔfHºsolid = -337.8 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 |
|---|---|---|---|
| 631.3 | 298. | Kratt, Beckhaus, et al., 1983, 2 | Cp given as 0.371 cal/g*K.; DH |
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.
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 168. | kJ/mol | E | Kratt, Beckhaus, et al., 1983 | ΔHfussion = 7.1±0.1 kcal/mol at 127°C; ALS |
| ΔsubH° | 167.7 | kJ/mol | N/A | Kratt, Beckhaus, et al., 1983 | DRB |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 29.71 | 400. | DSC | Kratt, Beckhaus, et al., 1983, 2 | 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.
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]
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 ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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