Cyclobutane, 1,2-diethenyl-, trans-


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

Quantity Value Units Method Reference Comment
Δfgas42.4kcal/molChydRoth, Adamczak, et al., 1991 

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

Quantity Value Units Method Reference Comment
Δcliquid-1186.5kcal/molCcrRauh, Geyer, et al., 1973Corresponding Δfliquid = 24.2 kcal/mol (simple calculation by NIST; no Washburn corrections)

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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil385.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Δvap9.3 ± 0.1kcal/molEBVarushchenko, Pashchenko, et al., 1996Based on data from 319. to 371. K.; AC
Δvap10.1kcal/molN/ARauh, Geyer, et al., 1973, 2AC
Δvap10.10kcal/molVRauh, Geyer, et al., 1973ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
9.35365.AStephenson and Malanowski, 1987Based on data from 350. to 385. K.; AC
9.3 ± 0.1367.N/ARauh, Geyer, et al., 1973, 2AC

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 + Cyclobutane, 1,2-diethenyl-, trans- = Cyclobutane, 1,2-diethyl-, trans-

By formula: 2H2 + C8H12 = C8H16

Quantity Value Units Method Reference Comment
Δr-55.5 ± 0.2kcal/molChydRoth, Adamczak, et al., 1991liquid phase

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C8H12+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.20PEBischof, Gleiter, et al., 1981Vertical value; LLK

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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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.
Origin D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 60708

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References

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

Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]

Rauh, Geyer, et al., 1973
Rauh, H.J.; Geyer, W.; Schmidt, H.; Geiseler, G., Bildungsenthalpien und mesomerieenergien von π-bindungssystemen, Z. Phys. Chem. (Leipzig), 1973, 253, 43-48. [all data]

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]

Varushchenko, Pashchenko, et al., 1996
Varushchenko, R.M.; Pashchenko, L.L.; Druzhinina, A.I., Enthalpies of vaporization of some mono- and polycyclic hydrocarbons, Zh. Fiz. Khim., 1996, 70, 2, 228. [all data]

Rauh, Geyer, et al., 1973, 2
Rauh, H.-J.; Geyer, W.; Schmidt, H.; Geiseler, G., Z. Phys. Chem. (Leipzig), 1973, 253, 43. [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]

Bischof, Gleiter, et al., 1981
Bischof, P.; Gleiter, R.; Gubernator, K.; Haider, R.; Musso, H.; Schwarz, W.; Trautmann, W.; Hopf, H., Photoelectronen-spektroskopische untersuchungen an divinylcyclobutanen, Chem. Ber., 1981, 114, 994. [all data]


Notes

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