Pentalene, octahydro-, cis-
- Formula: C8H14
- Molecular weight: 110.1968
- IUPAC Standard InChI: InChI=1S/C8H14/c1-3-7-5-2-6-8(7)4-1/h7-8H,1-6H2/t7-,8+
- IUPAC Standard InChIKey: AEBWATHAIVJLTA-OCAPTIKFSA-N
- CAS Registry Number: 1755-05-1
- 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. - Stereoisomers:
- Other names: cis-Bicyclo[3.3.0]octane; cis-Octahydropentalene; Bicyclo[3.3.0]octane (cis); Octahydropentalene, (Z)-; (Z)-Bicyclo[3.3.0]octane; Bicyclo[3.3.0]octane
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | -22.3 ± 0.5 | kcal/mol | Ccb | Chang, McNally, et al., 1970 | ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 31.049 | 298.15 | Chang S., 1970 | These values were calculated by a method of force field; their uncertainties may exceed 5-10 J/mol*K.; GT |
| 44.011 | 400. | ||
| 55.729 | 500. |
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
2 +
=
By formula: 2H2 + C8H10 = C8H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -54.2 ± 0.5 | kcal/mol | Chyd | Rogers, Loggins, et al., 1990 | liquid phase; solvent: Hexane |
2 +
=
By formula: 2H2 + C8H10 = C8H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -54.2 ± 0.5 | kcal/mol | Chyd | Rogers, Loggins, et al., 1990 | liquid phase; solvent: Hexane |
+
=
By formula: H2 + C8H12 = C8H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -26.8 ± 0.3 | kcal/mol | Chyd | Rogers, Loggins, et al., 1990 | liquid phase; solvent: Hexane |
Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Squalane | 50. | 859.9 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
| Capillary | Squalane | 70. | 865.2 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
| Capillary | Squalane | 90. | 870. | Engewald, Epsch, et al., 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
| Capillary | Vacuum Grease Oil (VM-4) | 35. | 858. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 45. | 863. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 50. | 865. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 58. | 869. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 68. | 874. | Sidorov, Petrova, et al., 1972 | |
| Packed | Vacuum Grease Oil (VM-4) | 35. | 858. | Sidorov, Ivanova, et al., 1971 | |
| Capillary | Squalane | 70. | 870. | Schomburg, 1966 | |
| Capillary | Squalane | 70. | 870. | Schomburg, 1966 | |
| Packed | Squalane | 150. | 891. | Schomburg, 1964 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, 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]
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]
Lunskii and Paizanskaya, 1988
Lunskii, M.Kh.; Paizanskaya, I.L.,
Identification of hydrocarbons C1-C9 of petrol fractions of oils and condensates in the use of capillary columns with dinonylphthalate,
Zh. Anal. Khim., 1988, 43, 127-135. [all data]
Engewald, Epsch, et al., 1976
Engewald, W.; Epsch, K.; Welsch, Th.; Graefe, J.,
Molekülstruktur und Retentionsverhalten. VI. Retentionsverhalten von bicycle[n.m.0]alkanen bei der gas-adsorptions- und gas-verteilungs-chromatographie,
J. Chromatogr., 1976, 119, 119-128, https://doi.org/10.1016/S0021-9673(00)86776-X
. [all data]
Sidorov, Petrova, et al., 1972
Sidorov, R.I.; Petrova, V.I.; Ivanova, M.P.,
Qualitative analysis of wide-boiling fraction C5-C10 with capillary chromatography
in Processes in chromatographic columns. Vol.17, 1972, 14-25. [all data]
Sidorov, Ivanova, et al., 1971
Sidorov, R.I.; Ivanova, M.P.; Petrova, V.I.,
Temperature dependence of cycloalkane's retention and its using in identification of structure,
Gazovaya Khromatografiya, 1971, 15, 18-26. [all data]
Schomburg, 1966
Schomburg, G.,
Gaschromatographische Retentionsdaten und struktur chemischer verbindungen. III. Alkylverzweigte und ungesättigte cyclische Kohlenwasserstoffe,
J. Chromatogr., 1966, 23, 18-41, https://doi.org/10.1016/S0021-9673(01)98653-4
. [all data]
Schomburg, 1964
Schomburg, G.,
Gas-Chromatographische Retentionsdaten und Struktur Chemischer Verbindungen. I. Verzweigte Aliphatische und Alicyclische Carbonsäure-Methylester,
J. Chromatogr., 1964, 14, 157-177, https://doi.org/10.1016/S0021-9673(00)86608-X
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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