Chemical Properties of Benzene, 1,1'-[oxybis(methylene)]bis- (CAS 103-50-4)

InChI

InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChI Key

MHDVGSVTJDSBDK-UHFFFAOYSA-N

Formula

C14H14O

SMILES

c1ccc(COCc2ccccc2)cc1

Molecular Weight¹

198.26

CAS

103-50-4

Other Names

• BA
• BA (Plasticizer)
• BENZYL ETHER
• BENZYL OXIDE
• Dibenzyl Ether
• Plastikator BA
• benzene, 1,1'-[oxybis(methylene)]-bis-
• bis(phenylmethyl) ether

• 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_fusH° : Enthalpy of fusion at standard conditions (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.
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔfG°	186.82	kJ/mol	Joback Calculated Property
ΔfH°gas	8.55	kJ/mol	Joback Calculated Property
ΔfusH°	21.29	kJ/mol	Joback Calculated Property
ΔvapH°	53.72	kJ/mol	Joback Calculated Property
IE	[8.50; 9.17]	eV
IE	8.50	eV	NIST
IE	9.17	eV	NIST
log10WS	-3.97		Crippen Calculated Property
logPoct/wat	3.403		Crippen Calculated Property
McVol	166.470	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
Pc	2721.17	kPa	Joback Calculated Property
Inp	[281.19; 1676.00]
Inp	1616.20		NIST
Inp	1650.30		NIST
Inp	1649.70		NIST
Inp	1641.40		NIST
Inp	1650.30		NIST
Inp	1656.90		NIST
Inp	1620.20		NIST
Inp	1641.40		NIST
Inp	1650.30		NIST
Inp	1656.90		NIST
Inp	1650.30		NIST
Inp	1649.70		NIST
Inp	1669.00		NIST
Inp	1670.00		NIST
Inp	1676.00		NIST
Inp	1676.00		NIST
Inp	1631.00		NIST
Inp	1616.00		NIST
Inp	1620.00		NIST
Inp	Outlier 281.19		NIST
Inp	1669.00		NIST
I	[2323.00; 2356.00]
I	2323.00		NIST
I	2356.00		NIST
Tboil	[273.15; 571.20]	K
Tboil	571.20	K	NIST
Tboil	273.15 ± 3.00	K	NIST
Tc	831.56	K	Joback Calculated Property
Tfus	293.00 ± 2.00	K	NIST
Vc	0.622	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[398.13; 483.81]	J/mol×K	[595.50; 831.56]
Cp,gas	398.13	J/mol×K	595.50	Joback Calculated Property
Cp,gas	415.33	J/mol×K	634.84	Joback Calculated Property
Cp,gas	431.28	J/mol×K	674.19	Joback Calculated Property
Cp,gas	446.05	J/mol×K	713.53	Joback Calculated Property
Cp,gas	459.69	J/mol×K	752.87	Joback Calculated Property
Cp,gas	472.26	J/mol×K	792.21	Joback Calculated Property
Cp,gas	483.81	J/mol×K	831.56	Joback Calculated Property
η	[0.0001448; 0.0019145]	Pa×s	[322.61; 595.50]
η	0.0019145	Pa×s	322.61	Joback Calculated Property
η	0.0009544	Pa×s	368.09	Joback Calculated Property
η	0.0005545	Pa×s	413.57	Joback Calculated Property
η	0.0003587	Pa×s	459.06	Joback Calculated Property
η	0.0002510	Pa×s	504.54	Joback Calculated Property
η	0.0001864	Pa×s	550.02	Joback Calculated Property
η	0.0001448	Pa×s	595.50	Joback Calculated Property
ΔvapH	[45.60; 59.40]	kJ/mol	[346.00; 437.00]
ΔvapH	45.60	kJ/mol	346.00	NIST
ΔvapH	59.40	kJ/mol	437.00	NIST
ρl	[1039.32; 1039.32]	kg/m3	[298.00; 298.20]
ρl	1039.32	kg/m3	298.00	Optimiz...
ρl	1039.32	kg/m3	298.20	Optimiz...

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[422.29; 608.51]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41951e+01
Coefficient B			-4.57958e+03
Coefficient C			-9.30050e+01
Temperature range, min.			422.29
Temperature range, max.			608.51
Pvap	1.33	kPa	422.29	Calculated Property
Pvap	3.03	kPa	442.98	Calculated Property
Pvap	6.30	kPa	463.67	Calculated Property
Pvap	12.10	kPa	484.36	Calculated Property
Pvap	21.78	kPa	505.05	Calculated Property
Pvap	37.06	kPa	525.75	Calculated Property
Pvap	60.06	kPa	546.44	Calculated Property
Pvap	93.33	kPa	567.13	Calculated Property
Pvap	139.77	kPa	587.82	Calculated Property
Pvap	202.65	kPa	608.51	Calculated Property
Pvap	[1.14e-04; 2485.80]	kPa	[275.15; 777.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			-4.76036e+01
Coefficient B			-4.63994e+03
Coefficient C			9.97049e+00
Coefficient D			-8.22302e-06
Temperature range, min.			275.15
Temperature range, max.			777.00
Pvap	1.14e-04	kPa	275.15	Calculated Property
Pvap	9.29e-03	kPa	330.91	Calculated Property
Pvap	0.24	kPa	386.67	Calculated Property
Pvap	2.84	kPa	442.43	Calculated Property
Pvap	19.46	kPa	498.19	Calculated Property
Pvap	88.36	kPa	553.96	Calculated Property
Pvap	290.09	kPa	609.72	Calculated Property
Pvap	731.91	kPa	665.48	Calculated Property
Pvap	1482.00	kPa	721.24	Calculated Property
Pvap	2485.80	kPa	777.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-[oxybis(methylene)]bis-.

Mixtures

• Pentanoic acid + Benzene, 1,1'-[oxybis(methylene)]bis- + Water
• Butanoic acid, 3-methyl- + Benzene, 1,1'-[oxybis(methylene)]bis- + Water
• Benzene, 1,1'-[oxybis(methylene)]bis- + Water
• Tetrahydrofuran + Benzene, 1,1'-[oxybis(methylene)]bis- + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Optimization of liquid-liquid equilibria of the type 2 ternary systems (water + valeric acid + aromatic solvent): Modeling through SERLAS
• Phase equilibria for ternary liquid systems of (water + tetrahydrofuran + nonprotic aromatic solvent) at T = 298.2 K
• Optimization and modeling of extraction equilibria of the type 2 ternary systems containing (water + isovaleric acid + solvent)
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.