3-Hexyne-2,5-diol, 2,5-dimethyl-

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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
Δfsolid-92.26 ± 0.79kcal/molCcbVan Chin-Syan, Korotyuk, et al., 1983Heat of combustion is not reported
Δfsolid-92.19 ± 0.33kcal/molCcbKulikov and Makolkin, 1971 
Quantity Value Units Method Reference Comment
Δcsolid-1138.43 ± 0.33kcal/molCcbKulikov and Makolkin, 1971Corresponding Δfsolid = -92.18 kcal/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-1141.59 ± 0.57kcal/molCcbRoth and Muller, 1927Authors' U=-8028±4 cal/g; Corresponding Δfsolid = -89.02 kcal/mol (simple calculation by NIST; no Washburn corrections)

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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

Quantity Value Units Method Reference Comment
Tboil478.65KN/AMellan, 1962Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus367.65KN/AMellan, 1962Uncertainty assigned by TRC = 1. K; TRC
Tfus368.KN/ABruson and Kroeger, 1940Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Δvap19.8 ± 0.24kcal/molCGCUmnahanant, Kweskin, et al., 2006AC
Quantity Value Units Method Reference Comment
Δsub25.5 ± 0.2kcal/molVVan Chin-Syan, Korotyuk, et al., 1983Heat of combustion is not reported; ALS

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
395.20.009Aldrich Chemical Company Inc., 1990BS
468. to 473.0.882Farchan Laboratories, 1990BS

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.70PEAndreocci, Bitchev, et al., 1979Vertical value

Mass spectrum (electron ionization)

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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: 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.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-2272
NIST MS number 229792

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.

Van Chin-Syan, Korotyuk, et al., 1983
Van Chin-Syan, Y.Y.; Korotyuk, V.F.; Panchenko, Yu.V.; Chuchmarev, S.K., Thermodynamic properties of certain bifunctional compounds, Russ. J. Phys. Chem. (Engl. Transl.), 1983, 57, 1727-1728. [all data]

Kulikov and Makolkin, 1971
Kulikov, A.I.; Makolkin, I.A., Heat of combustion of tetramethylbutynediol (2,5-dimethylhex-3-yne-2,5-diol), Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 1192. [all data]

Roth and Muller, 1927
Roth, W.A.; Muller, Fr., Thermische Untersuchungen an einigen Olefinen und Acetylen-Derivaten, Ber., 1927, 60, 643-645. [all data]

Mellan, 1962
Mellan, I., Polyhydric Alcohols, Spartan Books: Washington, DC, 1962. [all data]

Bruson and Kroeger, 1940
Bruson, H.A.; Kroeger, J.W., Cycli-Alkylation of Aromatic Compounds by the Friedel and Crafts Reaction, J. Am. Chem. Soc., 1940, 62, 36-44. [all data]

Umnahanant, Kweskin, et al., 2006
Umnahanant, Pataporn; Kweskin, Shasha; Nichols, Gary; Dunn, Matthew J.; Smart-Ebinne, Hareta; Chickos, James S., Vaporization Enthalpies of the α,ω-Alkanediols by Correlation Gas Chromatography, J. Chem. Eng. Data, 2006, 51, 6, 2246-2254, https://doi.org/10.1021/je060333x . [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]

Andreocci, Bitchev, et al., 1979
Andreocci, M.V.; Bitchev, P.; Carusi, P.; Furlani, A., Valence shell photoionization spectra of some substituted hydroxy-acetylenes. A tentative correlation with their cyclotrimerization reactions, J. Electron Spectrosc. Relat. Phenom., 1979, 16, 25. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References