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1-Heptyne

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas24.80 ± 0.61kcal/molChydRogers, Dagdagan, et al., 1979ALS
Deltafgas24.31kcal/molN/AMoureu and Andre, 1914Value computed using «DELTA»fHliquid° value of 62.8 kj/mol from Moureu and Andre, 1914 and «DELTA»vapH° value of 38.9 kj/mol from n-alkyne correlation.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
13.6250.Thermodynamics Research Center, 1997p=1 bar.; GT
18.69100.
22.87150.
26.398200.
32.048273.15
34.175298.15
34.336300.
43.109400.
51.231500.
58.246600.
64.242700.
69.391800.
73.826900.
77.6581000.
80.981100.
83.821200.
86.301300.
88.431400.
90.301500.

Condensed phase thermochemistry data

Go To: Top, Gas 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid24.16 ± 0.96kcal/molCcbN/Arecalculated with modern CO2,H2O thermo; estimated uncertainty (NOTE all values in source also have wrong sign); DRB
Deltafliquid-15.0kcal/molCcbMoureu and Andre, 1914ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1092.4kcal/molCcbMoureu and Andre, 1914Corresponding «DELTA»fliquid = 24.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes

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

Rogers, Dagdagan, et al., 1979
Rogers, D.W.; Dagdagan, O.A.; Allinger, N.L., Heats of hydrogenation and formation of linear alkynes and a molecular mechanics interpretation, J. Am. Chem. Soc., 1979, 101, 671-676. [all data]

Moureu and Andre, 1914
Moureu, C.; Andre, E., Thermochimie des composes acetyleniques, Ann. Chim. Phys., 1914, 1, 113-145. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]


Notes

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