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Pentalene, octahydro-, cis-

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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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-22.3 ± 0.5kcal/molCcbChang, McNally, et al., 1970ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
31.049298.15Chang S., 1970These values were calculated by a method of force field; their uncertainties may exceed 5-10 J/mol*K.; GT
44.011400.
55.729500.

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-32.6 ± 0.3kcal/molCcbChang, McNally, et al., 1970ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1198.1 ± 0.3kcal/molCcbChang, McNally, et al., 1970Corresponding «DELTA»fliquid = -32.5 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-1198.86 ± 0.66kcal/molCcbBarrett and Linstead, 1936Reanalyzed by Cox and Pilcher, 1970, Original value = -1197.7 ± 2.3 kcal/mol; Corresponding «DELTA»fliquid = -31.75 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-1187.4 ± 0.3kcal/molCcbBarrett and Linstead, 1935Corresponding «DELTA»fliquid = -43.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
50.76308.Chang, McNally, et al., 1970T = 308, 334 K.; DH

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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

2Hydrogen + Bicyclo[3.3.0]octa-2,6-diene = Pentalene, octahydro-, cis-

By formula: 2H2 + C8H10 = C8H14

Quantity Value Units Method Reference Comment
Deltar-54.2 ± 0.5kcal/molChydRogers, Loggins, et al., 1990liquid phase; solvent: Hexane

2Hydrogen + Bicyclo[3.3.0]octa-2,7-diene = Pentalene, octahydro-, cis-

By formula: 2H2 + C8H10 = C8H14

Quantity Value Units Method Reference Comment
Deltar-54.2 ± 0.5kcal/molChydRogers, Loggins, et al., 1990liquid phase; solvent: Hexane

Hydrogen + cis-Bicyclo[3.3.0]oct-2-ene = Pentalene, octahydro-, cis-

By formula: H2 + C8H12 = C8H14

Quantity Value Units Method Reference Comment
Deltar-26.8 ± 0.3kcal/molChydRogers, Loggins, et al., 1990liquid phase; solvent: Hexane

References

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

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

Chang, McNally, et al., 1970
Chang, Sho-ju.; McNally, D.; Shary-Tehrany, S.; Hickey, S.M.J.; Boyd, R.H., The heats of combustion and strain energies of bicylo[n.m.O]alkanes, J. Am. Chem. Soc., 1970, 92, 3109-3118. [all data]

Chang S., 1970
Chang S., The heats of combustion and strain energies of bicyclo[n.m.0]alkanes, J. Am. Chem. Soc., 1970, 92, 3109-3118. [all data]

Barrett and Linstead, 1936
Barrett, J.W.; Linstead, R.P., Fused carbon rings. Part X. Some fundamental properties of the 0:3:3-bicycloOctane ring, J. Chem. Soc., 1936, 611-616. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Barrett and Linstead, 1935
Barrett, J.W.; Linstead, R.P., Fused carbon rings. Part IV. Further investigation of 0:3:3-bicycloOctanones in relation to the strain theory, J. Chem. Soc., 1935, 436-442. [all data]

Rogers, Loggins, et al., 1990
Rogers, D.W.; Loggins, S.A.; Samuel, S.D.; Finnerty, M.A.; Liebman, J.F., Homoaromaticity and homoconjugation in the quinacenes: biquinacene, triquinacene, and hexaquinacene, Struct. Chem., 1990, 1, 481-489. [all data]


Notes

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