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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 by: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
7.96450.Thermodynamics Research Center, 1997Recommended values are in close agreement with those obtained from earlier statistical thermodynamics calculation [ Kilpatrick J.E., 1949].
8.602100.
9.756150.
11.07200.
13.31273.15
14.11298.15
14.17300.
17.23400.
19.84500.
22.01600.
23.84700.
25.41800.
26.77900.
27.961000.
29.021100.
29.921200.
30.711300.
31.411400.
32.031500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.711 ± 0.038148.2Kistiakowsky G.B., 1940Please also see Kistiakowsky G.B., 1940, 2.
9.916 ± 0.041157.8
11.36 ± 0.045213.1
11.54 ± 0.045218.4
11.72 ± 0.048223.7
12.74 ± 0.050258.0
13.20 ± 0.053272.16
14.18 ± 0.057300.00
15.25 ± 0.062334.00
16.22 ± 0.065366.45

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

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:   D2d     Symmetry Number σ = 4
 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase
a1 1 CH2 s-str 3015  A 3015.0 gas
a1 2 CH2 scis 1443  A 1442.6 gas
a1 3 CC str 1073  A 1072.6 gas
b1 4 CH2 twist 865  C 865 gas 865 liq.
b2 5 CH2 s-str 3007  A 3006.7 gas
b2 6 CC str 1957  C 1957 gas 1960 liq.
b2 7 CH2 scis 1398  C 1398 gas 1421 liq.
e 8 CH2 a-str 3086  A 3085.5 gas
e 9 CH2 rock 999  A 999.1 gas
e 10 CH2 wag 841  A 840.8 gas
e 11 CCC deform 355  A 355.3 gas

Source: Shimanouchi, 1972

Notes

A0~1 cm-1 uncertainty
C3~6 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.

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Kilpatrick J.E., 1949
Kilpatrick J.E., Heats, equilibrium constants, and free energies of formation of the C3 to C5 diolefins, styrene, and the methylstyrenes, J. Res. Nat. Bur. Stand., 1949, 42, 225-240. [all data]

Kistiakowsky G.B., 1940
Kistiakowsky G.B., Gaseous heat capacities. II, J. Chem. Phys., 1940, 8, 610-618. [all data]

Kistiakowsky G.B., 1940, 2
Kistiakowsky G.B., The low temperature gaseous heat capacities of certain C3 hydrocarbons, J. Chem. Phys., 1940, 8, 970-977. [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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