Butanoic acid, 3,3-dimethyl-, methyl ester
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChI: InChI=1S/C7H14O2/c1-7(2,3)5-6(8)9-4/h5H2,1-4H3
- IUPAC Standard InChIKey: DXBOTVWRXLQVMG-UHFFFAOYSA-N
- CAS Registry Number: 10250-48-3
- 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: Butyric acid, 3,3-dimethyl-, methyl ester; Methyl tert-butylacetate; Methyl 3,3-dimethylbutyrate
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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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 399. - 401. | K | N/A | Frinton Laboratories Inc., 1986 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 43.9 ± 0.2 | kJ/mol | GS | Verevkin and Emel'yanenko, 2008 | Based on data from 274. - 313. K.; AC |
| ΔvapH° | 44.39 ± 0.16 | kJ/mol | V | Verevkin, Beckhaus, et al., 1996 | ALS |
| ΔvapH° | 44.4 | kJ/mol | N/A | Verevkin, Beckhaus, et al., 1996 | DRB |
| ΔvapH° | 44.4 ± 0.2 | kJ/mol | GS | Verevkin, Beckhaus, et al., 1996 | Based on data from 274. - 313. K.; AC |
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.
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]
Verevkin and Emel'yanenko, 2008
Verevkin, Sergey P.; Emel'yanenko, Vladimir N.,
Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters,
Fluid Phase Equilibria, 2008, 266, 1-2, 64-75, https://doi.org/10.1016/j.fluid.2008.02.001
. [all data]
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]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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