Propane, 1-(1,1-dimethylethoxy)-2-methyl-
- Formula: C8H18O
- Molecular weight: 130.2279
- IUPAC Standard InChI: InChI=1S/C8H18O/c1-7(2)6-9-8(3,4)5/h7H,6H2,1-5H3
- IUPAC Standard InChIKey: UPOMCDPCTBJJDA-UHFFFAOYSA-N
- CAS Registry Number: 33021-02-2
- 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: tert-Butyl Isobutyl ether; 1-tert-Butoxy-2-methylpropane; Isobutyl tert-butyl ether; 1-(1,1-dimethylethoxy)-2-methylpropane
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -88.00 ± 0.48 | kcal/mol | Ccb | Verevkin, Beckhaus, et al., 1996 | |
| ΔfH°gas | -88.19 ± 0.38 | kcal/mol | Ccb | Sharonov, Mishentseva, et al., 1991 |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -97.78 ± 0.48 | kcal/mol | Ccb | Verevkin, Beckhaus, et al., 1996 | |
| ΔfH°liquid | -97.78 ± 0.38 | kcal/mol | Ccb | Sharonov, Mishentseva, et al., 1991 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1269.5 ± 0.48 | kcal/mol | Ccb | Verevkin, Beckhaus, et al., 1996 | Corresponding ΔfHºliquid = -97.78 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -1269.5 ± 0.29 | kcal/mol | Ccb | Sharonov, Mishentseva, et al., 1991 | Corresponding ΔfHºliquid = -97.78 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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 + C4H10O = C8H18O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -8.68 ± 0.43 | kcal/mol | Eqk | Sharonov, Mishentseva, et al., 1991, 2 | 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.
Verevkin, Beckhaus, et al., 1996
Verevkin, S.P.; Beckhaus, H.-D.; Belen'kaja, R.S.; Rakus, K.; Ruchardt, C.,
Geminal substituent effects Part 9. Standard enthalpies of formation and strain free increments of branched esters and ethers,
Thermochim. Acta, 1996, 279, 47-64. [all data]
Sharonov, Mishentseva, et al., 1991
Sharonov, K.G.; Mishentseva, Y.B.; Rozhnov, A.M.; Miroshnichenko, E.A.; Korchatova, L.I.,
Molar enthalpies of formation and vaporization of t-butoxybutanes and thermodynamics of their synthesis from a butanol and 2-methylpropene 2. Enthalpies of combustion and vaporization of t-butoxybutanes,
J. Chem. Thermodyn., 1991, 23, 637-642. [all data]
Sharonov, Mishentseva, et al., 1991, 2
Sharonov, K.G.; Mishentseva, Y.B.; Rozhnov, A.M.; Miroshnichenko, E.A.; Korchatova, L.I.,
Molar enthalpies of formation and vaporizqation of t-butoxybutanes and thermodynamics of their synthesis from a butanol and 2-methylpropene I. Equilibria of synthesis reactions of t-butoxybutanes in the liquid phase,
J. Chem. Thermodyn., 1991, 23, 141-145. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
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 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.