Cyclopropane

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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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

C3H5- + Hydrogen cation = Cyclopropane

By formula: C3H5- + H+ = C3H6

Quantity Value Units Method Reference Comment
Δr1716. ± 10.kJ/molAVGN/AAverage of 5 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr1676. ± 10.kJ/molAVGN/AAverage of 3 out of 6 values; Individual data points

Hydrogen bromide + Cyclopropane = Propane, 1-bromo-

By formula: HBr + C3H6 = C3H7Br

Quantity Value Units Method Reference Comment
Δr-107.8 ± 1.3kJ/molCmLacher, Kianpour, et al., 1957gas phase; ALS
Δr-94.94 ± 0.65kJ/molCmLacher, Walden, et al., 1950gas phase; Heat of hydrobromination; ALS

Propane, 1,3-diiodo- = Cyclopropane + Iodine

By formula: C3H6I2 = C3H6 + I2

Quantity Value Units Method Reference Comment
Δr77. ± 17.kJ/molEqkBenson and Amano, 1962gas phase; ALS

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   D3h     Symmetry Number σ = 6


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1' 1 CH2 s-str 3038  C  ia 3038 S p gas
a1' 2 CH2 scis 1479  D  ia 1504 W p gas FR(2ν14)
a1' 2 CH2 scis 1479  D  ia 1453 W p gas FR(2ν14)
a1' 3 Ring str 1188  C  ia 1188 S p gas
a1 4 CH2 twist 1126  D 1126 ia VW gas 1133 ia gas
a2' 5 CH2 wag 1070  D 1075 ia sln.  ia OC510)
a2 6 CH2 a-str 3103  C 3103 S gas  ia
a2 7 CH2 rock 854  C 854 S gas  ia
e' 8 CH2 s-str 3025  C 3025 VS gas 3020 VS p gas
e' 9 CH2 scis 1438  C 1438 M gas 1442 M dp gas
e' 10 CH2 wag 1029  C 1029 S gas 1023 VW liq.
e' 11 Ring deform 866  C 866 VS gas 866 S dp gas
e 12 CH2 a-str 3082  C  ia 3082 S dp gas
e 13 CH2 twist 1188  C  ia 1188 M dp gas
e 14 CH2 rock 739  C  ia 739 W dp gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
iaInactive
pPolarized
dpDepolarized
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

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

Lacher, Kianpour, et al., 1957
Lacher, J.R.; Kianpour, A.; Park, J.D., Reaction heats of organic halogen compounds. X. Vapor phase heats of hydrobromination of cyclopropane and propylene, J. Phys. Chem., 1957, 61, 1124-1125. [all data]

Lacher, Walden, et al., 1950
Lacher, J.R.; Walden, C.H.; Lea, K.R.; Park, J.D., Vapor phase heats of hydrobromination of cyclopropane and propylene, J. Am. Chem. Soc., 1950, 72, 331-333. [all data]

Benson and Amano, 1962
Benson, S.W.; Amano, A., Thermodynamics of iodine addition to ethylene, propylene, and cyclopropane, J. Chem. Phys., 1962, 36, 3464-3471. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

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