3-Hexyne-2,5-diol, 2,5-dimethyl-
- Formula: C8H14O2
- Molecular weight: 142.1956
- IUPAC Standard InChIKey: IHJUECRFYCQBMW-UHFFFAOYSA-N
- CAS Registry Number: 142-30-3
- 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: D 43; Dimethylhexynediol; Kemitracin-50; Tetramethylbutynediol; 2,5-Dimethyl-3-hexyne-2,5-diol; 2,5-dimethylhexyne-2,5-diol
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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 |
---|---|---|---|---|---|
ΔfH°solid | -386.0 ± 3.3 | kJ/mol | Ccb | Van Chin-Syan, Korotyuk, et al., 1983 | Heat of combustion is not reported |
ΔfH°solid | -385.7 ± 1.4 | kJ/mol | Ccb | Kulikov and Makolkin, 1971 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -4763.2 ± 1.4 | kJ/mol | Ccb | Kulikov and Makolkin, 1971 | Corresponding ΔfHºsolid = -385.7 kJ/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°solid | -4776.4 ± 2.4 | kJ/mol | Ccb | Roth and Muller, 1927 | Authors' U=-8028±4 cal/g; Corresponding ΔfHºsolid = -372.5 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, 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:
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 |
---|---|---|---|---|---|
Tboil | 478.65 | K | N/A | Mellan, 1962 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 367.65 | K | N/A | Mellan, 1962 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 368. | K | N/A | Bruson and Kroeger, 1940 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 82.8 ± 1.0 | kJ/mol | CGC | Umnahanant, Kweskin, et al., 2006 | AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 106.7 ± 0.9 | kJ/mol | V | Van Chin-Syan, Korotyuk, et al., 1983 | Heat of combustion is not reported; ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
395.2 | 0.009 | Aldrich Chemical Company Inc., 1990 | BS |
468. to 473. | 0.893 | Farchan Laboratories, 1990 | BS |
References
Go To: Top, 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.
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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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