Chemical Properties of Benzene, 1,1'-oxybis- (CAS 101-84-8)

InChI

InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H

InChI Key

USIUVYZYUHIAEV-UHFFFAOYSA-N

Formula

C12H10O

SMILES

c1ccc(Oc2ccccc2)cc1

Molecular Weight¹

170.21

CAS

101-84-8

Other Names

• 1,1'-OXYBIS-BENZENE
• 1,1'-Oxybisbenzene
• Benzene, phenoxy-
• Biphenyl oxide
• Chemcryl JK-EB
• Ether, diphenyl-
• Geranium crystals
• NSC 19311
• Oxybisbenzene
• Oxydiphenyl
• PHENOXY BENZENE
• Phenyl oxide
• diphenyl ether
• diphenyl oxide
• phenoxybenzene
• phenyl ether

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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).
• λ : Liquid thermal conductivity (W/m×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	0.4400		KDB
ΔcH°liquid	-6113.70 ± 3.80	kJ/mol	NIST
ΔcH°solid	-6119.24 ± 0.88	kJ/mol	NIST
μ	1.10	debye	KDB
ΔfG°	169.98	kJ/mol	Joback Calculated Property
ΔfH°gas	49.99	kJ/mol	KDB
ΔfH°solid	-32.11 ± 0.93	kJ/mol	NIST
ΔfusH°	17.12	kJ/mol	Standard enthalpy of formation of diphenyl oxide
ΔvapH°	[64.90; 67.10]	kJ/mol
ΔvapH°	67.10	kJ/mol	NIST
ΔvapH°	65.00	kJ/mol	NIST
ΔvapH°	66.90 ± 0.30	kJ/mol	NIST
ΔvapH°	66.10 ± 0.40	kJ/mol	NIST
ΔvapH°	64.90 ± 2.10	kJ/mol	NIST
IE	[8.00; 8.82]	eV
IE	8.09	eV	NIST
IE	8.00	eV	NIST
IE	8.09 ± 0.03	eV	NIST
IE	8.10	eV	NIST
IE	8.82 ± 0.05	eV	NIST
log10WS	[-3.96; -3.93]
log10WS	-3.93		Aq. Solubility Prediction
log10WS	-3.96		Estimated Solubility
logPoct/wat	3.479		Crippen Calculated Property
McVol	138.290	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
NFPA Health	1		KDB
Pc	[3140.00; 3141.07]	kPa
Pc	3140.00	kPa	KDB
Pc	3141.07 ± 202.65	kPa	NIST
Inp	[241.16; 1405.00]
Inp	1389.90		NIST
Inp	1378.00		NIST
Inp	1380.00		NIST
Inp	1396.00		NIST
Inp	1376.30		NIST
Inp	1366.80		NIST
Inp	1370.00		NIST
Inp	1370.90		NIST
Inp	1366.40		NIST
Inp	1381.70		NIST
Inp	1393.70		NIST
Inp	1380.10		NIST
Inp	1384.60		NIST
Inp	1404.00		NIST
Inp	1405.00		NIST
Inp	1372.00		NIST
Inp	1396.00		NIST
Inp	1386.00		NIST
Inp	1364.00		NIST
Inp	1372.00		NIST
Inp	1356.90		NIST
Inp	1372.60		NIST
Inp	1371.80		NIST
Inp	1376.20		NIST
Inp	1386.00		NIST
Inp	1379.00		NIST
Inp	1363.00		NIST
Inp	1376.00		NIST
Inp	Outlier 241.70		NIST
Inp	Outlier 241.16		NIST
Inp	Outlier 241.70		NIST
Inp	1378.00		NIST
Inp	1396.00		NIST
Inp	1366.40		NIST
I	[1991.00; 2055.00]
I	2017.00		NIST
I	2017.00		NIST
I	2026.00		NIST
I	1991.00		NIST
I	2038.00		NIST
I	2017.00		NIST
I	1991.00		NIST
I	2055.00		NIST
I	2026.00		NIST
S°solid,1 bar	233.91	J/mol×K	NIST
Tboil	[523.65; 532.50]	K
Tboil	531.20	K	KDB
Tboil	532.20	K	NIST
Tboil	531.10	K	NIST
Tboil	Outlier 523.65 ± 1.50	K	NIST
Tboil	531.46 ± 0.07	K	NIST
Tboil	532.50 ± 0.50	K	NIST
Tc	[766.80; 788.15]	K
Tc	766.80	K	KDB
Tc	766.80 ± 1.00	K	NIST
Tc	788.15 ± 2.00	K	NIST
Tc	767.20 ± 1.00	K	NIST
Tfus	[299.90; 300.60]	K
Tfus	300.02	K	KDB
Tfus	300.60	K	Aq. Solubility Prediction
Tfus	300.58 ± 0.20	K	NIST
Tfus	300.04 ± 0.01	K	NIST
Tfus	300.00 ± 0.02	K	NIST
Tfus	299.90 ± 0.02	K	NIST
Tfus	300.15 ± 1.00	K	NIST
Tfus	300.05 ± 0.05	K	NIST
Tfus	299.90 ± 0.40	K	NIST
Tfus	299.90 ± 0.30	K	NIST
Tfus	300.20 ± 0.20	K	NIST
Ttriple	[300.01; 300.03]	K
Ttriple	300.01 ± 0.00	K	NIST
Ttriple	300.03 ± 0.01	K	NIST
Ttriple	300.03 ± 0.01	K	NIST
Vc	0.510	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[302.80; 380.90]	J/mol×K	[549.74; 795.91]
Cp,gas	302.80	J/mol×K	549.74	Joback Calculated Property
Cp,gas	318.62	J/mol×K	590.77	Joback Calculated Property
Cp,gas	333.25	J/mol×K	631.80	Joback Calculated Property
Cp,gas	346.73	J/mol×K	672.82	Joback Calculated Property
Cp,gas	359.14	J/mol×K	713.85	Joback Calculated Property
Cp,gas	370.51	J/mol×K	754.88	Joback Calculated Property
Cp,gas	380.90	J/mol×K	795.91	Joback Calculated Property
Cp,solid	[215.90; 216.56]	J/mol×K	[298.15; 298.50]
Cp,solid	216.56	J/mol×K	298.15	NIST
Cp,solid	216.56	J/mol×K	298.15	NIST
Cp,solid	215.90	J/mol×K	298.50	NIST
η	[0.0001694; 0.0019947]	Pa×s	[300.07; 549.74]
η	0.0019947	Pa×s	300.07	Joback Calculated Property
η	0.0010297	Pa×s	341.68	Joback Calculated Property
η	0.0006136	Pa×s	383.29	Joback Calculated Property
η	0.0004047	Pa×s	424.90	Joback Calculated Property
η	0.0002874	Pa×s	466.52	Joback Calculated Property
η	0.0002159	Pa×s	508.13	Joback Calculated Property
η	0.0001694	Pa×s	549.74	Joback Calculated Property
ΔfusH	[16.51; 17.22]	kJ/mol	[300.00; 300.40]
ΔfusH	17.21	kJ/mol	300.00	NIST
ΔfusH	17.21	kJ/mol	300.00	NIST
ΔfusH	17.22	kJ/mol	300.02	NIST
ΔfusH	17.21	kJ/mol	300.03	NIST
ΔfusH	17.21	kJ/mol	300.03	NIST
ΔfusH	16.51	kJ/mol	300.40	NIST
ΔvapH	[48.20; 64.20]	kJ/mol	[323.00; 510.50]
ΔvapH	64.20	kJ/mol	323.00	NIST
ΔvapH	53.00	kJ/mol	510.50	NIST
ΔvapH	48.20	kJ/mol	510.50	NIST
Pvap	[2.93e-03; 0.09]	kPa	[299.30; 343.70]
Pvap	2.93e-03	kPa	299.30	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	4.26e-03	kPa	303.30	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	5.31e-03	kPa	305.30	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	6.46e-03	kPa	308.30	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	7.44e-03	kPa	310.30	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	9.68e-03	kPa	313.40	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.01	kPa	315.30	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.02	kPa	319.40	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.02	kPa	323.40	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.03	kPa	327.40	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.03	kPa	328.90	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.04	kPa	331.50	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.05	kPa	335.50	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.06	kPa	339.60	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
Pvap	0.09	kPa	343.70	Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
ρl	[1005.20; 1066.00]	kg/m3	[303.00; 373.15]
ρl	1066.00	kg/m3	303.00	KDB
ρl	1065.50	kg/m3	303.15	Isobaric heat capacity at high pressure, density, and viscosity of (diphenyl ether + biphenyl) mixtures
ρl	1061.20	kg/m3	308.15	Isobaric heat capacity at high pressure, density, and viscosity of (diphenyl ether + biphenyl) mixtures
ρl	1056.90	kg/m3	313.15	Isobaric heat capacity at high pressure, density, and viscosity of (diphenyl ether + biphenyl) mixtures
ρl	1048.20	kg/m3	323.15	Isobaric heat capacity at high pressure, density, and viscosity of (diphenyl ether + biphenyl) mixtures
ρl	1039.60	kg/m3	333.15	Isobaric heat capacity at high pressure, density, and viscosity of (diphenyl ether + biphenyl) mixtures
ρl	1030.90	kg/m3	343.15	Isobaric heat capacity at high pressure, density, and viscosity of (diphenyl ether + biphenyl) mixtures
ρl	1022.30	kg/m3	353.15	Isobaric heat capacity at high pressure, density, and viscosity of (diphenyl ether + biphenyl) mixtures
ρl	1013.70	kg/m3	363.15	Isobaric heat capacity at high pressure, density, and viscosity of (diphenyl ether + biphenyl) mixtures
ρl	1005.20	kg/m3	373.15	Isobaric heat capacity at high pressure, density, and viscosity of (diphenyl ether + biphenyl) mixtures
ΔfusS	[57.38; 57.38]	J/mol×K	[300.02; 300.03]
ΔfusS	57.38	J/mol×K	300.02	NIST
ΔfusS	57.38	J/mol×K	300.03	NIST
ΔfusS	57.38	J/mol×K	300.03	NIST
λ	[0.13; 0.15]	W/m×K	[303.15; 343.15]
λ	0.13	W/m×K	303.15	Thermophysical properties of diphenyl ether + biphenyl mixtures for their use as heat transfer fluids
λ	0.13	W/m×K	313.15	Thermophysical properties of diphenyl ether + biphenyl mixtures for their use as heat transfer fluids
λ	0.14	W/m×K	323.15	Thermophysical properties of diphenyl ether + biphenyl mixtures for their use as heat transfer fluids
λ	0.14	W/m×K	333.15	Thermophysical properties of diphenyl ether + biphenyl mixtures for their use as heat transfer fluids
λ	0.15	W/m×K	343.15	Thermophysical properties of diphenyl ether + biphenyl mixtures for their use as heat transfer fluids

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[396.23; 565.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44628e+01
Coefficient B			-4.38113e+03
Coefficient C			-8.71630e+01
Temperature range, min.			396.23
Temperature range, max.			565.91
Pvap	1.33	kPa	396.23	Calculated Property
Pvap	3.01	kPa	415.08	Calculated Property
Pvap	6.23	kPa	433.94	Calculated Property
Pvap	11.94	kPa	452.79	Calculated Property
Pvap	21.49	kPa	471.64	Calculated Property
Pvap	36.61	kPa	490.50	Calculated Property
Pvap	59.47	kPa	509.35	Calculated Property
Pvap	92.68	kPa	528.20	Calculated Property
Pvap	139.26	kPa	547.06	Calculated Property
Pvap	202.65	kPa	565.91	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-oxybis-.

Mixtures

• Benzene, 1,1'-oxybis- + Biphenyl

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Thermophysical properties of diphenyl ether + biphenyl mixtures for their use as heat transfer fluids
• Isobaric heat capacity at high pressure, density, and viscosity of (diphenyl ether + biphenyl) mixtures
• Standard enthalpy of formation of diphenyl oxide
• Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
• Determination of sublimation enthalpies of substituted benzophenones, fluorenes and diphenyl ethers by solution calorimetry approach
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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