Di-tert-butyl-isopropylmethanol
- Formula: C12H26O
- Molecular weight: 186.3342
- IUPAC Standard InChI: InChI=1S/C12H26O/c1-9(2)12(13,10(3,4)5)11(6,7)8/h9,13H,1-8H3
- IUPAC Standard InChIKey: DXYPGMZJNUIZMU-UHFFFAOYSA-N
- CAS Registry Number: 5457-42-1
- 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. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- 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.
Phase change data
Go To: Top, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 507.15 | K | N/A | Smith and Creitz, 1951 | Uncertainty assigned by TRC = 3. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 13.6 ± 0.2 | kcal/mol | GS | Verevkin, 1998 | Based on data from 317. to 348. K.; AC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 14.2 ± 0.2 | kcal/mol | GS | Verevkin, 1998, 2 | Based on data from 274. to 308. K.; AC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 13.1 ± 0.2 | 333. | GS | Verevkin, 1998 | Based on data from 317. to 348. K.; AC |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 14.3 ± 0.2 | 291. | GS | Verevkin, 1998, 2 | Based on data from 274. to 308. K.; AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 0.500 | 314. | DSC | Verevkin, 1998, 2 | Compound likely has an unmeasured solid phase transition.; 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.
Smith and Creitz, 1951
Smith, F.A.; Creitz, E.C.,
Infrared studies of association in eleven alcohols,
J. Res. Natl. Bur. Stand. (U. S.), 1951, 46, 145. [all data]
Verevkin, 1998
Verevkin, Sergey P.,
Thermochemistry of phenols: experimental standard molar enthalpies of formation of 2-phenylphenol, 4-phenylphenol, 2,6-diphenylphenol, and 2,2´- and 4,4´-dihydroxybiphenyl,
The Journal of Chemical Thermodynamics, 1998, 30, 3, 389-396, https://doi.org/10.1006/jcht.1997.0316
. [all data]
Verevkin, 1998, 2
Verevkin, Sergey P.,
Structural Chemistry, 1998, 9, 5, 375-382, https://doi.org/10.1023/A:1022471228499
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization 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.