1,6-Heptadiyne

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

Quantity Value Units Method Reference Comment
Tboil385.2KN/AWeast and Grasselli, 1989BS
Tboil384.65KN/AHenne and Greenlee, 1945Uncertainty assigned by TRC = 0.3 K; TRC
Tboil385.2KN/ALespieau and Journaud, 1929Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Tfus188.31KN/AHenne and Greenlee, 1945Uncertainty assigned by TRC = 0.6 K; TRC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
381.0.016Farchan Laboratories, 1990BS
393.0.079Farchan 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 as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C7H8+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.85 ± 0.01PETraeger and McLoughlin, 1978LLK
9.85 ± 0.01PITraeger and McLoughlin, 1978LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H7+9.85 ± 0.01HPITraeger and McLoughlin, 1978LLK

De-protonation reactions

C7H7- + Hydrogen cation = 1,6-Heptadiyne

By formula: C7H7- + H+ = C7H8

Quantity Value Units Method Reference Comment
Δr376.4 ± 5.0kcal/molD-EAGunion, Karney, et al., 1996gas phase; B

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

Henne and Greenlee, 1945
Henne, A.L.; Greenlee, K.W., Preparation and Physical Constants of Acetylenic Compounds, J. Am. Chem. Soc., 1945, 67, 484-5. [all data]

Lespieau and Journaud, 1929
Lespieau, R.; Journaud, C. R. Hebd. Seances Acad. Sci., 1929, 188, 1410. [all data]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

Traeger and McLoughlin, 1978
Traeger, J.C.; McLoughlin, R.G., A photoionization study of the energetics of C7H7+ ion formed from C7H8 precursors, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 319. [all data]

Gunion, Karney, et al., 1996
Gunion, R.F.; Karney, W.; Wenthold, P.G.; Borden, W.T.; Lineberger, W.C., Ultraviolet Photoelectron Spectroscopy of Some C7H7- Isomers: Quadricyclanide, Norbornadienide, Cycloheptatrienide, and 1,6-Heptadiynide, J. Am. Chem. Soc., 1996, 118, 21, 5074, https://doi.org/10.1021/ja954026f . [all data]


Notes

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