iodine heptafluoride


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.

Quantity Value Units Method Reference Comment
Δfgas-961.06kJ/molReviewChase, 1998Data last reviewed in December, 1969
Quantity Value Units Method Reference Comment
gas,1 bar347.49J/mol*KReviewChase, 1998Data last reviewed in December, 1969

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 6000.
A 175.6460
B 6.156714
C -1.660890
D 0.141340
E -3.913220
F -1026.816
G 536.2758
H -961.0648
ReferenceChase, 1998
Comment Data last reviewed in December, 1969

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:   D5h     Symmetry Number σ = 10


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

a1' 1 Ifax s-str 676  C  ia 676 W p gas
a1' 2 Ifeq s-str 635  C  ia 635 S p gas
a2 3 IFax a-str 672  C 672 VS gas  ia
a2 4 FeqIFax deform 257  C 257 W gas  ia
e1' 5 IFeq a-str 746  C 746 S b gas  ia
e1' 6 FeqIFeq deform 425  C 425 VS gas  ia
e1' 7 FaxIFax deform 363  C 363 S gas  ia
e1 8 FeqIFax deform 310  C  ia 310 W dp gas
e2' 9 IFeq a-str 510  C  ia 510 W dp gas
e2' 10 FeqIFeq deform 352  C  ia 352 W dp gas
e2 11 FeqIFax deform 200  D  ia  ia CF. OC211511)

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
WWeak
iaInactive
bBroad
pPolarized
dpDepolarized
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
CFCalculated frequency
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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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