CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-881.99	1.30	kJ mol^-1	1970Osb/Sch:3790-3798
Hfg(0K)		1.30	kJ mol^-1	1970Osb/Sch:3790-3798
Entropy (298.15K)	224.85	0.22	J K^-1 mol^-1	1970Osb/Sch:3790-3798
Integrated Heat Capacity (0 to 298.15K)	37.09	0.04	kJ mol^-1	1970Osb/Sch:3790-3798
Heat Capacity (298.15K)	174.70	0.17	J K^-1 mol^-1	1970Osb/Sch:3790-3798

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A₁	710		1970Osb/Sch:3790-3798
2	A₁	616
3	A₁	318
4	B₁	276						B1 B2 switched
5	B₂	604
6	B₂			1970Osb/Sch:3790-3798				181 +- 20 est. from thermo
7	E	591
8	E	324
9	E	189

Atom 1	Atom 2
I1	F2
I1	F3
I1	F4
I1	F5
I1	F6

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	C_4v	True							C_4v	1	1

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	C_4v	True						C_4v	1	1

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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squib	reference	DOI
1970Osb/Sch:3790-3798	DW Osborne, F Schreiner, H Selig "Calorimetric Study of Iodine Pentafluoride: Heat Capacity between 5 and 350°K, Enthalpy of Fusion and Vaporization, Standard Entropy of the Vapor, and Other Thermodynamic Properties" J. Chem. Phys. 54, 3790 (1971)	10.1063/1.1675430
1990She/Kuk:489-492	JC Shea, SG Kukolich "QUADRUPOLE COUPLING MEASUREMENTS ON IF5" Chem. Phys. Lett. 168, 489-492, 1990	10.1016/0009-2614(90)85149-7
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for IF5 (pentafluoroiodine)

Experimental data for IF₅ (pentafluoroiodine)