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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-93. ± 2.kJ/molCcbChang, McNally, et al., 1970ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
129.91298.15Chang S., 1970These values were calculated by a method of force field; their uncertainties may exceed 5-10 J/mol*K.; GT
184.14400.
233.17500.

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-136. ± 1.kJ/molCcbChang, McNally, et al., 1970ALS
Quantity Value Units Method Reference Comment
Deltacliquid-5013. ± 1.kJ/molCcbChang, McNally, et al., 1970Corresponding «DELTA»fliquid = -136. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5016.0 ± 2.8kJ/molCcbBarrett and Linstead, 1936Reanalyzed by Cox and Pilcher, 1970, Original value = -5011.2 ± 9.6 kJ/mol; Corresponding «DELTA»fliquid = -132.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4968. ± 1.kJ/molCcbBarrett and Linstead, 1935Corresponding «DELTA»fliquid = -181. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
212.4308.Chang, McNally, et al., 1970T = 308, 334 K.; DH

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, Kenneth Kroenlein director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil410.28KN/AMair, Eberly, et al., 1958Uncertainty assigned by TRC = 0.2 K; TRC
Tboil408.KN/ADesty and Whyman, 1957Uncertainty assigned by TRC = 2. K; TRC
Tboil409.KN/ARoberts and Gorham, 1952Uncertainty assigned by TRC = 3. K; TRC
Tboil409.4KN/ACope and Schmitz, 1950Uncertainty assigned by TRC = 2. K; TRC
Tboil409.KN/ABarrett and Linstead, 1936, 2Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Tfus223.82KN/AMair, Eberly, et al., 1958Uncertainty assigned by TRC = 0.2 K; TRC
Tfus224.KN/ARytina, Schiessler, et al., 1949Uncertainty assigned by TRC = 8. K; TRC
Tfus224.KN/AAnonymous, 1948Uncertainty assigned by TRC = 8. K; TRC
Quantity Value Units Method Reference Comment
Deltavap43.1 ± 0.8kJ/molVChang, McNally, et al., 1970ALS
Deltavap43.0kJ/molN/AChang, McNally, et al., 1970DRB
Deltavap43.1 ± 0.8kJ/molN/AChang, McNally, et al., 1970AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
42.0308.AStephenson and Malanowski, 1987Based on data from 298. - 318. K.; AC
41.5 ± 0.4318.N/AChang, McNally, et al., 1970AC

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:


Reaction thermochemistry data

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

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-227. ± 2.kJ/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-227. ± 2.kJ/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-112. ± 1.kJ/molChydRogers, Loggins, et al., 1990liquid phase; solvent: Hexane

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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Mass 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.
NIST MS number 20124

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References

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

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]

Mair, Eberly, et al., 1958
Mair, B.J.; Eberly; Krouskop, N.C.; Rossini, F.D., Anal. Chem., 1958, 30, 393. [all data]

Desty and Whyman, 1957
Desty, D.H.; Whyman, B.H.F., Anal. Chem., 1957, 29, 320. [all data]

Roberts and Gorham, 1952
Roberts, J.D.; Gorham, W.F., Syntheses of Some Bicyclo[3.3.0]octane Derivatives, J. Am. Chem. Soc., 1952, 74, 2278. [all data]

Cope and Schmitz, 1950
Cope, A.C.; Schmitz, W.R., Cyclic Polyolefins VII. Structure of the Eight-membered Cyclic Dimer of Chloroprene, J. Am. Chem. Soc., 1950, 72, 3056. [all data]

Barrett and Linstead, 1936, 2
Barrett, J.W.; Linstead, R.P., J. Chem. Soc., 1936, 1936, 611. [all data]

Rytina, Schiessler, et al., 1949
Rytina, A.W.; Schiessler, R.W.; Whitmore, F.C., The Preparation and Properties of cis-(0.3.3)-Bicyclooctane, J. Am. Chem. Soc., 1949, 71, 751-2. [all data]

Anonymous, 1948
Anonymous, R., , Am. Pet. Inst. Res. Proj. 6, Natl. Bur. Stand., 1948. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [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

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