2,2,3,3,4,4,4-Heptafluoro-butanol
- Formula: C4H3F7O
- Molecular weight: 200.0548
- IUPAC Standard InChI: InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
- IUPAC Standard InChIKey: WXJFKAZDSQLPBX-UHFFFAOYSA-N
- CAS Registry Number: 375-01-9
- 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: 2,2,3,3,4,4,4-Heptafluoro-1-butanol; 1H,1H-Heptafluoro-1-butanol; Perfluoro-1,1-dihydrobutanol; 1H,1H-Heptafluorobutanol-1; 1-Butanol, 2,2,3,3,4,4,4-heptafluoro-; α,α-Dihydroperfluorobutanol; Butanol, 2,2,3,3,4,4,4-heptafluoro-; 1,1-Dihydroperfluorobutyl alcohol; 1,1-H,H-Heptafluorobutanol; 1,1-Dihydroperfluorobutanol; NSC 60528; 1,1H-perfluorobutanol; 2,2,3,3,4,4,4-heptafluorobutan-1-ol
- 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, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | Cm | Andreevskii and Antonova, 1982 | uncertain value: -1718. kJ/mol |
Condensed phase thermochemistry data
Go To: Top, Gas 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -1781.9 ± 6.3 | kJ/mol | Ccb | Kolesov, Ivanov, et al., 1971 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -1759. ± 6.3 kJ/mol; hf298_gas[kcal/mol]=-415.79±1.89; Kolesov and Kozina, 1986 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1474. ± 6.3 | kJ/mol | Ccb | Kolesov, Ivanov, et al., 1971 | hf298_gas[kcal/mol]=-415.79±1.89; Kolesov and Kozina, 1986 |
Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 369.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Tboil | 369. to 370. | K | N/A | Farchan Laboratories, 1990 | BS |
| Tboil | 368. to 369.6 | K | N/A | PCR Inc., 1990 | BS |
| Tboil | 368.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 43.6 | 286. | A,MM | Stephenson and Malanowski, 1987 | Based on data from 273. to 298. K. See also Dykyj, 1971 and Meeks and Goldfarb, 1967.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 273. to 297.9 | 0.81678 | 220.148 | -196.864 | Meeks and Goldfarb, 1967, 2 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andreevskii and Antonova, 1982
Andreevskii, D.N.; Antonova, Z.A.,
Development of an increment scheme for calculating the thermodynamic properties of organic polyfluoro compounds,
J. Appl. Chem. USSR, 1982, 55, 582-587. [all data]
Kolesov, Ivanov, et al., 1971
Kolesov, V.P.; Ivanov, L.S.; Shtekher, S.M.,
Standard enthalpy of formation of 2,2,3,3,4,4,4-heptafluorobutanol and the approximate calculation of enthalpies of formation of some fluorinated alcohols,
Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 554. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Kolesov and Kozina, 1986
Kolesov, V.P.; Kozina, M.P.,
Thermochemistry of organic and organohalogen compounds,
Russ. Chem. Rev., 1986, 55, 912. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Dykyj, 1971
Dykyj, J.,
Petrochemia, 1971, 11, 2, 27. [all data]
Meeks and Goldfarb, 1967
Meeks, Alan C.; Goldfarb, Ivan J.,
Vapor pressure of fluoroalcohols,
J. Chem. Eng. Data, 1967, 12, 2, 196-196, https://doi.org/10.1021/je60033a010
. [all data]
Meeks and Goldfarb, 1967, 2
Meeks, A.C.; Goldfarb, I.J.,
Vapor Pressure of Fluoroalcohols,
J. Chem. Eng. Data, 1967, 12, 2, 196, https://doi.org/10.1021/je60033a010
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point 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 ΔvapH Enthalpy of vaporization - 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.