1,3-Butadiyne, 1-iodo-

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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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tboil344.KN/AGrignard and Tcheoufaki, 1929Uncertainty assigned by TRC = 3. K

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

Ionization energy determinations

IE (eV) Method Reference
9.24 ± 0.02PEHeilbronner, Hornung, et al., 1974

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:   C     Symmetry Number σ = 1


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

σ+ 1 CH str 3332  C 3332 VS gas
σ+ 2 C≡C a-str 2211  C 2211 S gas
σ+ 3 C≡C s-str 2060  C 2060 VW gas
σ+ 4 C-C str 1025  D 1025 VW solid solid
σ+ 5 CI str 362  C 362 M gas
π 6 CH bend 623  B 623 VS gas
π 7 CCCC a-bend 473  B 473 M gas
π 8 CCCC s-bend 357  C 357 W gas
π 9 CCI bend 110  E 110 gas OC8979)

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 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.

Grignard and Tcheoufaki, 1929
Grignard, V.; Tcheoufaki, The α-Diacetylenic Hydrocarbons, C. R. Hebd. Seances Acad. Sci., 1929, 188, 357. [all data]

Heilbronner, Hornung, et al., 1974
Heilbronner, E.; Hornung, V.; Maier, J.P.; Kloster-Jensen, E., The photoelectron spectra of halodiacetylenes, dihalodiacetylenes, and halomethyldiacetylenes, J. Am. Chem. Soc., 1974, 96, 4252. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

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