Propane, 1-(1,1-dimethylethoxy)-2-methyl-
- Formula: C8H18O
- Molecular weight: 130.2279
- 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
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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) |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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:
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 | 385.2 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 9.6 ± 0.4 | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.913 | 385.2 | Majer and Svoboda, 1985 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.07 | 162.3 | Druzhinina, Dorofeeva, et al., 2006 | AC |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 2841 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Druzhinina, Dorofeeva, et al., 2006
Druzhinina, A.I.; Dorofeeva, O.V.; Varushchenko, R.M.; Krasnykh, E.L.,
The low-temperature heat capacity and ideal gas thermodynamic properties of isobutyl tert-butyl ether,
The Journal of Chemical Thermodynamics, 2006, 38, 1, 10-19, https://doi.org/10.1016/j.jct.2005.02.003
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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