Di-tert-Butyl ether
- Formula: C8H18O
- Molecular weight: 130.2279
- IUPAC Standard InChI: InChI=1S/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3
- IUPAC Standard InChIKey: AQEFLFZSWDEAIP-UHFFFAOYSA-N
- CAS Registry Number: 6163-66-2
- 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. - Other names: Propane, 2,2'-oxybis[2-methyl-; tert-Butyl ether; 2,2'-Oxybis-2-methyl-propane; (tert-C4H9)2O; 1,1'-Oxybis(1,1-dimethylethane)
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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 | -86.3 ± 0.2 | kcal/mol | Ccr | Steele, Chirico, et al., 1996 | |
| ΔfH°gas | -86.52 ± 0.37 | kcal/mol | Ccb | Fenwick, Harrop, et al., 1975 | |
| ΔfH°gas | -86.50 ± 0.31 | kcal/mol | Ccb | Smutny and Bondi, 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -87.1 ± 0.3 kcal/mol; Heat of combustion corrected for pressure |
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°liquid | -95.23 ± 0.17 | kcal/mol | Ccr | Steele, Chirico, et al., 1996 | ALS |
| ΔfH°liquid | -95.51 ± 0.27 | kcal/mol | Ccb | Fenwick, Harrop, et al., 1975 | ALS |
| ΔfH°liquid | -96.1 | kcal/mol | Ccb | Smutny and Bondi, 1961 | Heat of combustion corrected for pressure; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1272.01 ± 0.15 | kcal/mol | Ccr | Steele, Chirico, et al., 1996 | Corresponding ΔfHºliquid = -95.232 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -1271.74 | kcal/mol | Ccb | Fenwick, Harrop, et al., 1975 | Corresponding ΔfHºliquid = -95.507 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -1271.1 ± 0.25 | kcal/mol | Ccb | Smutny and Bondi, 1961 | Heat of combustion corrected for pressure; Corresponding ΔfHºliquid = -96.1 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 65.99 | 298.15 | Fenwick, Harrop, et al., 1975, 2 | 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.
Steele, Chirico, et al., 1996
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.,
Thermodynamic properties and ideal-gas enthalpies of formation for butyl vinyl ether, 1,2-dimethoxyethane, methyl glycolate, bicyclo[2.2.1]hept-2-ene, 5-vinylbicyclo[2.2.1]hept-2-ene, trans-azobenzene, butyl acrylate, di-tert-butyl ether, and hexane-1,6-diol,
J. Chem. Eng. Data, 1996, 41, 1285-1302. [all data]
Fenwick, Harrop, et al., 1975
Fenwick, J.O.; Harrop, D.; Head, A.J.,
Thermodynamic properties of organic oxygen compounds. 41. Enthalpies of formation of eight ethers,
J. Chem. Thermodyn., 1975, 7, 943-954. [all data]
Smutny and Bondi, 1961
Smutny, E.J.; Bondi, A.,
Di-t-butyl ether: Strain energy and physical properties,
J. Phys. Chem., 1961, 65, 546-550. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Fenwick, Harrop, et al., 1975, 2
Fenwick, J.O.; Harrop, D.; Head, A.J.,
Thermodynamic properties of organic oxygen compounds. 41. Enthalpies of formation of eight ethers,
J. Chem. Thermodynam., 1975, 7, 944-954. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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