2,2,3,3,4,4,4-Heptafluoro-butanol

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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas  CmAndreevskii and Antonova, 1982uncertain value: -410.7 kcal/mol

Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-425.9 ± 1.5kcal/molCcbKolesov, Ivanov, et al., 1971Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -420.5 ± 1.5 kcal/mol; hf298_gas[kcal/mol]=-415.79±1.89; Kolesov and Kozina, 1986
Quantity Value Units Method Reference Comment
Δcliquid-352.3 ± 1.5kcal/molCcbKolesov, Ivanov, et al., 1971hf298_gas[kcal/mol]=-415.79±1.89; Kolesov and Kozina, 1986

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

Quantity Value Units Method Reference Comment
Tboil369.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil369. to 370.KN/AFarchan Laboratories, 1990BS
Tboil368. to 369.6KN/APCR Inc., 1990BS
Tboil368.2KN/AWeast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
10.4286.A,MMStephenson and Malanowski, 1987Based 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 (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
273. to 297.90.81107220.148-196.864Meeks and Goldfarb, 1967, 2Coefficents calculated by NIST from author's data.

Reaction thermochemistry 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 by: John E. Bartmess

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

C4H2F7O- + Hydrogen cation = 2,2,3,3,4,4,4-Heptafluoro-butanol

By formula: C4H2F7O- + H+ = C4H3F7O

Quantity Value Units Method Reference Comment
Δr350.1 ± 6.1kcal/molG+TSDawson and Jennings, 1977gas phase; Between (CF3)2CHOH, CF3CH2OH; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr343.5 ± 6.0kcal/molIMRBDawson and Jennings, 1977gas phase; Between (CF3)2CHOH, CF3CH2OH; value altered from reference due to change in acidity scale

References

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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]

Dawson and Jennings, 1977
Dawson, J.H.J.; Jennings, K.R., Relative gas phase acidities of some fluoroalcohols, Int. J. Mass Spectrom. Ion Phys., 1977, 25, 47. [all data]


Notes

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