Chemical Properties of Dibenzofuran (CAS 132-64-9)

InChI

InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

InChI Key

TXCDCPKCNAJMEE-UHFFFAOYSA-N

Formula

C12H8O

SMILES

c1ccc2c(c1)oc1ccccc12

Molecular Weight¹

168.19

CAS

132-64-9

Other Names

• 2,2'-Biphenylene oxide
• 2,2'-Biphenylylene oxide
• Dibenzo[b,d]furan
• Dibenzofurane
• Diphenylene oxide
• [1,1'-Biphenyl]-2,2'-diyl oxide
• dibenzo[bd]furan

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• 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 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4532		Relay (1.0) Calculated Property
ΔcH°solid	[-5859.70; -5836.30]	kJ/mol
ΔcH°solid	-5836.30 ± 4.70	kJ/mol	NIST
ΔcH°solid	-5859.70 ± 4.20	kJ/mol	NIST
ΔfG°	167.99	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	47.30 ± 4.80	kJ/mol	NIST
ΔfH°solid	-29.20 ± 4.80	kJ/mol	NIST
ΔsubH°	[76.46; 88.70]	kJ/mol
ΔsubH°	82.00 ± 0.20	kJ/mol	NIST
ΔsubH°	76.46 ± 0.16	kJ/mol	NIST
ΔsubH°	76.50	kJ/mol	NIST
ΔsubH°	84.40 ± 0.70	kJ/mol	NIST
ΔsubH°	76.50 ± 0.20	kJ/mol	NIST
ΔsubH°	88.70	kJ/mol	NIST
ΔvapH°	75.50	kJ/mol	Relay (1.0) Calculated Property
IE	[7.90; 8.77]	eV
IE	8.77	eV	NIST
IE	8.22	eV	NIST
IE	7.90 ± 0.05	eV	NIST
IE	8.09	eV	NIST
log10WS	[-4.60; -4.51]
log10WS	-4.51		Aq. Solubility Prediction
log10WS	-4.60		Estimated Solubility
logPoct/wat	3.586		Crippen Calculated Property
McVol	127.430	ml/mol	McGowan Calculated Property
Pc	3640.00 ± 100.00	kPa	NIST
ρc	339.75 ± 5.05	kg/m3	NIST
Inp	[251.74; 1549.20]
Inp	1504.00		NIST
Inp	1504.00		NIST
Inp	1504.00		NIST
Inp	1514.00		NIST
Inp	1494.90		NIST
Inp	1517.50		NIST
Inp	1513.00		NIST
Inp	1512.00		NIST
Inp	1499.40		NIST
Inp	1513.00		NIST
Inp	1520.90		NIST
Inp	1530.00		NIST
Inp	1549.20		NIST
Inp	1499.40		NIST
Inp	1513.00		NIST
Inp	1520.90		NIST
Inp	1513.00		NIST
Inp	1512.00		NIST
Inp	1526.00		NIST
Inp	1545.00		NIST
Inp	1537.00		NIST
Inp	1504.00		NIST
Inp	1499.00		NIST
Inp	1521.00		NIST
Inp	1534.00		NIST
Inp	1532.00		NIST
Inp	1519.60		NIST
Inp	1490.00		NIST
Inp	1493.00		NIST
Inp	1470.00		NIST
Inp	1489.00		NIST
Inp	1501.00		NIST
Inp	1515.00		NIST
Inp	1515.00		NIST
Inp	1505.00		NIST
Inp	1524.00		NIST
Inp	1525.00		NIST
Inp	1487.00		NIST
Inp	260.30		NIST
Inp	260.40		NIST
Inp	252.13		NIST
Inp	259.74		NIST
Inp	258.72		NIST
Inp	257.02		NIST
Inp	259.70		NIST
Inp	259.50		NIST
Inp	258.80		NIST
Inp	259.57		NIST
Inp	257.12		NIST
Inp	259.07		NIST
Inp	259.75		NIST
Inp	254.58		NIST
Inp	252.50		NIST
Inp	258.77		NIST
Inp	257.17		NIST
Inp	260.80		NIST
Inp	259.63		NIST
Inp	259.07		NIST
Inp	259.63		NIST
Inp	251.74		NIST
Inp	258.70		NIST
Inp	259.74		NIST
Inp	263.31		NIST
Inp	258.53		NIST
Inp	261.30		NIST
Inp	258.80		NIST
Inp	259.10		NIST
Inp	256.05		NIST
Inp	257.17		NIST
Inp	259.80		NIST
Inp	1489.00		NIST
Inp	1524.00		NIST
I	[256.99; 2308.00]
I	2308.00		NIST
I	2270.00		NIST
I	256.99		NIST
I	2308.00		NIST
S°solid,1 bar	196.18	J/mol×K	NIST
Tboil	[558.20; 560.20]	K
Tboil	558.20	K	NIST
Tboil	560.20	K	NIST
Tboil	560.15 ± 0.60	K	NIST
Tc	824.00 ± 4.00	K	NIST
Tfus	[355.66; 356.32]	K
Tfus	356.32	K	Aq. Solubility Prediction
Tfus	355.66	K	Solid-liquid equilibrium of some polycyclic aromatic hydrocarbons in wash oil
Ttriple	[355.31; 355.31]	K
Ttriple	355.31	K	KDB
Ttriple	355.31 ± 0.02	K	NIST
Vc	0.496	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	199.01	J/mol×K	298.15	NIST
ΔfusH	[17.60; 20.50]	kJ/mol	[354.70; 355.80]
ΔfusH	18.60	kJ/mol	354.70	NIST
ΔfusH	19.41	kJ/mol	355.10	NIST
ΔfusH	17.60	kJ/mol	355.20	NIST
ΔfusH	18.60	kJ/mol	355.70	NIST
ΔfusH	18.60	kJ/mol	355.70	NIST
ΔfusH	20.50	kJ/mol	355.80	NIST
ΔsubH	[76.70; 85.60]	kJ/mol	[306.50; 323.50]
ΔsubH	82.10 ± 1.50	kJ/mol	306.50	NIST
ΔsubH	76.70	kJ/mol	322.50	NIST
ΔsubH	79.10	kJ/mol	323.00	NIST
ΔsubH	85.60	kJ/mol	323.50	NIST
ΔvapH	[55.10; 66.20]	kJ/mol	[398.00; 481.00]
ΔvapH	66.20	kJ/mol	398.00	NIST
ΔvapH	66.20	kJ/mol	410.50	NIST
ΔvapH	55.10	kJ/mol	481.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.20; 202.65]	kPa	[355.65; 599.98]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45387e+01
Coefficient B			-5.25976e+03
Coefficient C			-2.99520e+01
Temperature range, min.			355.65
Temperature range, max.			599.98
Pvap	0.20	kPa	355.65	Calculated Property
Pvap	0.69	kPa	382.80	Calculated Property
Pvap	2.01	kPa	409.95	Calculated Property
Pvap	5.05	kPa	437.09	Calculated Property
Pvap	11.33	kPa	464.24	Calculated Property
Pvap	23.10	kPa	491.39	Calculated Property
Pvap	43.53	kPa	518.54	Calculated Property
Pvap	76.71	kPa	545.68	Calculated Property
Pvap	127.75	kPa	572.83	Calculated Property
Pvap	202.65	kPa	599.98	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzofuran.

Mixtures

• Dibenzofuran + Anthracene
• Dibenzofuran + Carbazole
• Dibenzofuran + 9H-Fluoren-9-one
• Dibenzofuran + Ethanol
• Dibenzofuran + 1-Butanol
• Dibenzofuran + Ethyl Acetate
• Dibenzofuran + Toluene
• Dibenzofuran + Diisopropyl ether
• Dibenzofuran + Carbon Tetrachloride
• Dibenzofuran + Ethanol + 9H-Fluoren-9-one
• Dibenzofuran + Water
• potassium chloride + Dibenzofuran + Water
• Dibenzofuran + sodium chloride + Water
• Dibenzofuran + Carbon dioxide + Methyl Alcohol
• Dibenzofuran + Carbon dioxide + Acetic acid

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Solid-liquid phase equilibrium of 9-fluorenone and several polynuclear aromatic hydrocarbons
• Solid-liquid equilibrium of some polycyclic aromatic hydrocarbons in wash oil
• Solid Liquid Phase Equilibrium and Solubility of Dibenzo[b,d]furan and 9H-Fluoren-9-one in Organic Solvents
• Solubilities of Selected PCDDs and PCDFs in Water and Various Chloride Solutions
• Cosolvent Effect of Methanol and Acetic Acid on Dibenzofuran Solubility in Supercritical Carbon Dioxide
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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