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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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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 379.9 | K | N/A | Erickson and Ashton, 1941 | Uncertainty assigned by TRC = 0.8 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tc | 555. | K | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 2. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Pc | 23.93 | atm | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 1.48 atm; from extraploation of obs. vapor pressures to Tc; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ρc | 1.995 | mol/l | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 0.092 mol/l; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 9.01 ± 0.07 | kcal/mol | EB | Steele, Chirico, et al., 1996 | Based on data from 290. to 386. K.; AC |
| ΔvapH° | 8.89 | kcal/mol | N/A | Ambrose, Ellender, et al., 1976 | Based on data from 289. to 382. K.; AC |
| ΔvapH° | 9.0 ± 0.2 | kcal/mol | C | Fenwick, Harrop, et al., 1975 | ALS |
| ΔvapH° | 8.99 ± 0.02 | kcal/mol | C | Fenwick, Harrop, et al., 1975 | AC |
| ΔvapH° | 9.0 | kcal/mol | V | Smutny and Bondi, 1961 | Heat of combustion corrected for pressure; ALS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 8.91 | 304. | A | Stephenson and Malanowski, 1987 | Based on data from 289. to 382. K. See also Ambrose, Ellender, et al., 1976.; AC |
| 9.25 | 292. | A | Stephenson and Malanowski, 1987 | Based on data from 277. to 382. K. See also Smutny and Bondi, 1961.; AC |
| 7.55 | 380. | N/A | Ambrose, Ellender, et al., 1976 | Based on data from 289. to 382. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 277. to 382. | 3.70877 | 1157.714 | -70.097 | Smutny and Bondi, 1961 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Erickson and Ashton, 1941
Erickson, J.L.E.; Ashton, W.H.,
Di-tertiary Butyl Ether,
J. Am. Chem. Soc., 1941, 63, 1769. [all data]
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]
Ambrose, Ellender, et al., 1976
Ambrose, D.; Ellender, J.H.; Sprake, C.H.S.; Townsend, R.,
Thermodynamic properties of organic oxygen compounds XLIII. Vapour pressures of some ethers,
The Journal of Chemical Thermodynamics, 1976, 8, 2, 165-178, https://doi.org/10.1016/0021-9614(76)90090-2
. [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]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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