Propane, 2-ethoxy-2-methyl-
- Formula: C6H14O
- Molecular weight: 102.1748
- IUPAC Standard InChIKey: NUMQCACRALPSHD-UHFFFAOYSA-N
- CAS Registry Number: 637-92-3
- 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. - Other names: Ether, tert-butyl ethyl; tert-Butyl Ethyl ether; Ethyl tert-butyl ether; Ethyl tert-butyl oxide; tert-C4H9OC2H5; t-Butyl ethyl ether; 2-Ethoxy-2-methylpropane
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -75.96 | kcal/mol | N/A | Sharonov, Rozhnov, et al., 1995 | Value computed using ΔfHliquid° value of -350.8±2.6 kj/mol from Sharonov, Rozhnov, et al., 1995 and ΔvapH° value of 32.97 kj/mol from missing citation.; DRB |
ΔfH°gas | -75.0 ± 0.5 | kcal/mol | Eqk | Iborra, Izquierdo, et al., 1989 | GC; ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
35.691 | 300. | Dunphy M.P., 1991 | These values were calculated using estimated structural parameters and vibrational frequencies. According to estimation by difference method [ Dorofeeva O.V., 1997] the uncertainty of S(298.15 K) is evaluated to be 5-8 J/mol*K.; GT |
46.135 | 400. | ||
55.514 | 500. | ||
63.255 | 600. | ||
69.613 | 700. | ||
74.945 | 800. | ||
79.477 | 900. | ||
83.399 | 1000. | ||
86.776 | 1100. | ||
89.725 | 1200. | ||
92.299 | 1300. | ||
94.555 | 1400. | ||
96.530 | 1500. | ||
98.260 | 1600. | ||
99.783 | 1700. | ||
101.12 | 1800. | ||
102.30 | 1900. | ||
103.36 | 2000. | ||
104.29 | 2100. | ||
105.12 | 2200. | ||
105.87 | 2300. | ||
106.53 | 2400. | ||
107.14 | 2500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction 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 | -83.84 ± 0.62 | kcal/mol | Eqk | Sharonov, Rozhnov, et al., 1995 | ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
52.1 | 298. | Evans and Edlund, 1936 | DH |
Reaction thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C4H8 + C2H6O = C6H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.65 | kcal/mol | Cm | Sola, Pericas, et al., 1995 | liquid phase |
ΔrH° | -7.65 | kcal/mol | Kin | Sola, Pericas, et al., 1995 | liquid phase |
ΔrH° | -14.9 ± 0.5 | kcal/mol | Eqk | Iborra, Izquierdo, et al., 1989 | gas phase; GC |
By formula: C6H14O = C4H8 + C2H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.47 ± 0.46 | kcal/mol | Eqk | Sharonov, Rozhnov, et al., 1995 | liquid phase |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sharonov, Rozhnov, et al., 1995
Sharonov, K.G.; Rozhnov, A.M.; Korol'kov, A.V.; Karaseva, S.Y.,
Enthalpies of formation of 2-methyl-2-ethoxypropane and 2-ethyl-2-ethoxypropane from equilibrium measurements,
J. Chem. Thermodyn., 1995, 27, 751-753. [all data]
Iborra, Izquierdo, et al., 1989
Iborra, M.; Izquierdo, J.F.; Tejero, J.; Cunill, F.,
Equilibrium constant for ethyl tert-butyl ether vapor-phase synthesis,
J. Chem. Eng. Data, 1989, 34, 1-5. [all data]
Dunphy M.P., 1991
Dunphy M.P.,
Preliminary observations on the high temperature oxidation of ethyl tert-butyl ether,
Int. J. Chem. Kinet., 1991, 23, 553-558. [all data]
Dorofeeva O.V., 1997
Dorofeeva O.V.,
Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]
Evans and Edlund, 1936
Evans, T.W.; Edlund, K.R.,
Tertiary alkyl ethers preparation and properties,
Ind. Eng. Chem., 1936, 28, 1186-1188. [all data]
Sola, Pericas, et al., 1995
Sola, L.; Pericas, M.A.; Cunill, F.; Tejero, J.,
Thermodynamic and kinetic studies of the liquid phase synthesis of tert-butyl ethyl ether using a reaction calorimeter,
Ind. Eng. Chem. Res., 1995, 34, 3718-3725. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction 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.