Dibenzo-p-dioxin

Formula: C₁₂H₈O₂
Molecular weight: 184.1907
IUPAC Standard InChI: InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
IUPAC Standard InChIKey: NFBOHOGPQUYFRF-UHFFFAOYSA-N
CAS Registry Number: 262-12-4
Chemical structure:
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Other names: Dibenzo[b,e][1,4]dioxin; Dibenzo[1,4]dioxin; Diphenylene dioxide; Oxanthrene; Phenodioxin; Dibenzodioxin; NCI-C03656
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Gas phase thermochemistry data

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Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-59.2 ± 4.4	kJ/mol	Ccb	Luk'yanova, Kolesov, et al., 1997	ALS
Δ_fH°_gas	-59.2 ± 4.4	kJ/mol	Ccb	Luk'yanova, Kolesov, et al., 1997	ALS
Δ_fH°_gas	-59.2	kJ/mol	N/A	Luk'yanova, Kolesov, et al., 1997	Value computed using Δ_fH_solid° value of -148.7±4.4 kj/mol from Luk'yanova, Kolesov, et al., 1997 and Δ_subH° value of 89.5 kj/mol from Luk'yanova, Kolesov, et al., 1997.; DRB

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
45.21	50.	Dorofeeva O.V., 1997	These S(T) and Cp(T) values were calculated using estimated vibrational frequencies. Thermodynamic functions calculated earlier by [ Shaub, 1982] are lower than selected ones by 8.8-11.2 J/molK for S(T) and 0.1-4.0 J/molK for Cp(T).; GT
64.38	100.
89.83	150.
119.08	200.
164.70	273.15
180.2 ± 3.0	298.15
181.38	300.
239.19	400.
287.19	500.
325.45	600.
355.90	700.
380.43	800.
400.49	900.
417.09	1000.
430.97	1100.
442.67	1200.
452.59	1300.
461.06	1400.
468.33	1500.

References

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Luk'yanova, Kolesov, et al., 1997
Luk'yanova, V.A.; Kolesov, V.P.; Avramenko, N.V.; Vorob'eva, V.P.; Golovkov, V.F., Standard enthalpy of formation of dibenzo-p-dioxine, Russ. J. Phys. Chem. (Engl. Transl.), 1997, 71, 338-340, In original 406. [all data]

Dorofeeva O.V., 1997
Dorofeeva O.V., Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]

Shaub, 1982
Shaub, W.M., Estimated thermodynamic functions for some chlorinated benzenes, phenols and dioxins, Thermochim. Acta, 1982, 58, 11-44. [all data]

Notes

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Symbols used in this document:

C_p,gas Constant pressure heat capacity of gas

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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C_p,gas	Constant pressure heat capacity of gas
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions