Chemical Properties of Dibenzo-p-dioxin (CAS 262-12-4)

InChI

InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H

InChI Key

NFBOHOGPQUYFRF-UHFFFAOYSA-N

Formula

C12H8O2

SMILES

c1ccc2c(c1)Oc1ccccc1O2

Molecular Weight¹

184.19

CAS

262-12-4

Other Names

• Dibenzo[1,4]dioxin
• Dibenzo[b,e][1,4]dioxin
• Dibenzodioxin
• Diphenylene dioxide
• NCI-C03656
• Oxanthrene
• Phenodioxin
• dibenzo-p-dioxine

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-5716.70; -5716.70]	kJ/mol
ΔcH°solid	-5716.70 ± 4.10	kJ/mol	NIST
ΔcH°solid	-5716.70 ± 4.10	kJ/mol	NIST
ΔfG°	164.04	kJ/mol	Joback Calculated Property
ΔfH°gas	[-59.20; -59.20]	kJ/mol
ΔfH°gas	-59.20 ± 4.40	kJ/mol	NIST
ΔfH°gas	-59.20 ± 4.40	kJ/mol	NIST
ΔfH°gas	-59.20	kJ/mol	NIST
ΔfH°solid	[-148.70; -148.70]	kJ/mol
ΔfH°solid	-148.70 ± 4.40	kJ/mol	NIST
ΔfH°solid	-148.70 ± 4.40	kJ/mol	NIST
ΔfusH°	29.26	kJ/mol	Joback Calculated Property
ΔsubH°	[89.50; 91.50]	kJ/mol
ΔsubH°	91.50 ± 0.80	kJ/mol	NIST
ΔsubH°	89.60 ± 0.70	kJ/mol	NIST
ΔsubH°	89.50	kJ/mol	NIST
ΔvapH°	57.25	kJ/mol	Joback Calculated Property
IE	[7.50; 8.10]	eV
IE	7.60 ± 0.00	eV	NIST
IE	7.60 ± 0.00	eV	NIST
IE	7.50	eV	NIST
IE	8.10 ± 0.03	eV	NIST
IE	7.70	eV	NIST
IE	7.78 ± 0.05	eV	NIST
log10WS	-5.32		Aq. Sol...
logPoct/wat	3.585		Crippen Calculated Property
McVol	133.300	ml/mol	McGowan Calculated Property
Pc	3819.82	kPa	Joback Calculated Property
Inp	[267.27; 1612.00]
Inp	1612.00		NIST
Inp	1612.00		NIST
Inp	267.27		NIST
Tboil	598.32	K	Joback Calculated Property
Tc	853.36	K	Joback Calculated Property
Tfus	[393.05; 395.70]	K
Tfus	395.40	K	Aq. Sol...
Tfus	395.70 ± 0.10	K	NIST
Tfus	393.05 ± 0.50	K	NIST
Vc	0.499	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.99; 380.10]	J/mol×K	[598.32; 853.36]
T(K) Ideal gas heat capacity (J/mol×K) 320 330 340 350 360 370 380 600 700 800
Cp,gas	316.99	J/mol×K	598.32	Joback Calculated Property
Cp,gas	330.04	J/mol×K	640.83	Joback Calculated Property
Cp,gas	341.92	J/mol×K	683.33	Joback Calculated Property
Cp,gas	352.73	J/mol×K	725.84	Joback Calculated Property
Cp,gas	362.62	J/mol×K	768.34	Joback Calculated Property
Cp,gas	371.70	J/mol×K	810.85	Joback Calculated Property
Cp,gas	380.10	J/mol×K	853.36	Joback Calculated Property
η	[0.0005215; 0.0019248]	Pa×s	[381.72; 598.32]
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 400 500 600
η	0.0019248	Pa×s	381.72	Joback Calculated Property
η	0.0014094	Pa×s	417.82	Joback Calculated Property
η	0.0010845	Pa×s	453.92	Joback Calculated Property
η	0.0008673	Pa×s	490.02	Joback Calculated Property
η	0.0007152	Pa×s	526.12	Joback Calculated Property
η	0.0006046	Pa×s	562.22	Joback Calculated Property
η	0.0005215	Pa×s	598.32	Joback Calculated Property
ΔfusH	23.20	kJ/mol	395.70	NIST
ΔsubH	[89.55; 93.60]	kJ/mol	[318.00; 318.00]
T(K) Enthalpy of sublimation at a given temperature (kJ/mol) 90 91 92 93 94
ΔsubH	93.60 ± 1.20	kJ/mol	318.00	NIST
ΔsubH	89.55 ± 0.72	kJ/mol	318.00	NIST
ΔsubH	89.55	kJ/mol	318.00	NIST
ΔsubH	89.60 ± 0.70	kJ/mol	318.00	NIST
ΔsubH	92.30	kJ/mol	318.00	NIST

Similar Compounds

Find more compounds similar to Dibenzo-p-dioxin.

Mixtures

• Dibenzo-p-dioxin + Water
• potassium chloride + Dibenzo-p-dioxin + Water
• sodium chloride + Dibenzo-p-dioxin + Water

Sources

• Crippen Method
• Solubilities of Selected PCDDs and PCDFs in Water and Various Chloride Solutions
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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