Tetra-N-butylammonium bromide
- Formula: C16H36BrN
- Molecular weight: 322.368
- IUPAC Standard InChI: InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
- IUPAC Standard InChIKey: JRMUNVKIHCOMHV-UHFFFAOYSA-M
- CAS Registry Number: 1643-19-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Tetrabutylammonium bromide; TBAB; 1-Butanaminium, N,N,N-tributyl-, bromide
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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 | -129.1 ± 0.76 | kcal/mol | Ccb | Nagano, Mizuno, et al., 1991 |
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: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 107.0 | 298. | Burns and Verrall, 1974 | crystaline, III phase; T = 273 to 373 K. |
| 98.5 | 298.15 | de Visser and Somsen, 1973 | T = 278 to 328 K. |
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 395. | K | N/A | Burns and Verrall, 1974, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC |
| Tfus | 395. | K | N/A | Coker, Ambrose, et al., 1970 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 3.8599 | 395. | Burns and Verrall, 1974 | DH |
Entropy of fusion
| ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 9.773 | 395. | Burns and Verrall, 1974 | DH |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 0.016 | 293. | crystaline, IV | crystaline, III | Burns and Verrall, 1974 | T = 293 to 295 K. H maximum value.; DH |
| 0.3896 | 367. | crystaline, III | crystaline, II | Burns and Verrall, 1974 | T = 366.0 to 369 K.; DH |
| 0.0801 | 383. | crystaline, II | crystaline, I | Burns and Verrall, 1974 | T = 382 to 383.5 K.; DH |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 0.05 | 293. | crystaline, IV | crystaline, III | Burns and Verrall, 1974 | T; DH |
| 1.1 | 367. | crystaline, III | crystaline, II | Burns and Verrall, 1974 | T; DH |
| 0.2 | 383. | crystaline, II | crystaline, I | Burns and Verrall, 1974 | T; DH |
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.
Nagano, Mizuno, et al., 1991
Nagano, Y.; Mizuno, H.; Sakiyama, M.; Fujiwara, T.; Kondo, Y.,
Hydration enthalpy of tetra-n-butylammonium ion,
J. Phys. Chem., 1991, 95, 2536-2540. [all data]
Burns and Verrall, 1974
Burns, I.A.; Verrall, R.E.,
Thermodynamics of tetralkyl- and bis-tetraalkylammonium bromides. II. Heat capacities of solid state from 273 to 373 K,
Thermochim. Acta, 1974, 9, 277-287. [all data]
de Visser and Somsen, 1973
de Visser, C.; Somsen, G.,
Enthalpies of solution and heat capacities of tetra-n-butylammonium bromide in several solvents from 278-328 K,
J. Chem. Thermodynam., 1973, 5, 147-152. [all data]
Burns and Verrall, 1974, 2
Burns, J.A.; Verrall, R.E.,
Thermodynamics of tetraalkyl- and bis-tetraalkylammonium bromides. II. Heat capacities of solid state from 273 to 373 K.,
Thermochim. Acta, 1974, 9, 277. [all data]
Coker, Ambrose, et al., 1970
Coker, T.G.; Ambrose, J.; Janz, G.J.,
Fusion properties of some ionic quaternary ammonium compounds.,
J. Am. Chem. Soc., 1970, 92, 5293. [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 Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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