Chemical Properties of Benzene, ethoxy- (CAS 103-73-1)

InChI

InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChI Key

DLRJIFUOBPOJNS-UHFFFAOYSA-N

Formula

C8H10O

SMILES

CCOc1ccccc1

Molecular Weight¹

122.16

CAS

103-73-1

Other Names

• Benzyl methyl ether
• ETHOXYBENZENE
• ETHYL PHENYL ETHER
• Ether, ethyl phenyl-
• PHENOXYETHANE
• Phenetole
• Phenyl ethyl ether

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid 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°_liquid : Liquid phase 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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• 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
ω	0.4180		KDB
ΔcH°liquid	[-4424.59; -4417.84]	kJ/mol
ΔcH°liquid	-4424.59	kJ/mol	NIST
ΔcH°liquid	-4417.84	kJ/mol	NIST
μ	1.20	debye	KDB
ΔfG°	23.89	kJ/mol	Joback Calculated Property
ΔfH°gas	[-125.00; -101.60]	kJ/mol
ΔfH°gas	-101.60 ± 1.20	kJ/mol	NIST
ΔfH°gas	-125.00	kJ/mol	NIST
ΔfH°gas	-108.40	kJ/mol	NIST
ΔfH°liquid	[-159.40; -152.60]	kJ/mol
ΔfH°liquid	-152.60 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-159.40	kJ/mol	NIST
ΔfusH°	11.70	kJ/mol	Joback Calculated Property
ΔvapH°	[50.70; 51.04]	kJ/mol
ΔvapH°	51.04	kJ/mol	NIST
ΔvapH°	50.70	kJ/mol	NIST
ΔvapH°	51.04 ± 0.12	kJ/mol	NIST
ΔvapH°	51.00	kJ/mol	NIST
ΔvapH°	51.00 ± 0.10	kJ/mol	NIST
IE	[8.13; 8.60]	eV
IE	8.60	eV	NIST
IE	8.13 ± 0.02	eV	NIST
IE	8.36	eV	NIST
IE	8.41	eV	NIST
log10WS	[-2.33; -2.33]
log10WS	-2.33		Aq. Solubility Prediction
log10WS	-2.33		Estimated Solubility
logPoct/wat	2.085		Crippen Calculated Property
McVol	105.690	ml/mol	McGowan Calculated Property
Pc	[3414.65; 3434.92]	kPa
Pc	3420.00	kPa	KDB
Pc	3420.00 ± 81.06	kPa	NIST
Pc	3434.92 ± 101.32	kPa	NIST
Pc	3414.65 ± 101.32	kPa	NIST
Inp	[953.00; 996.00]
Inp	978.50		NIST
Inp	976.30		NIST
Inp	981.30		NIST
Inp	971.60		NIST
Inp	973.30		NIST
Inp	980.50		NIST
Inp	978.10		NIST
Inp	980.00		NIST
Inp	995.00		NIST
Inp	995.00		NIST
Inp	984.00		NIST
Inp	995.00		NIST
Inp	Outlier 953.70		NIST
Inp	Outlier 953.00		NIST
Inp	996.00		NIST
Inp	988.80		NIST
Inp	991.10		NIST
Inp	992.40		NIST
Inp	970.80		NIST
Inp	988.80		NIST
Inp	991.10		NIST
Inp	992.40		NIST
Inp	980.00		NIST
I	[1437.00; 1442.00]
I	1437.00		NIST
I	1442.00		NIST
Tboil	442.96	K	KDB
Tc	[647.00; 647.15]	K
Tc	647.00	K	KDB
Tc	647.00 ± 2.00	K	NIST
Tc	647.15 ± 2.50	K	NIST
Tfus	[242.95; 243.68]	K
Tfus	243.63	K	KDB
Tfus	243.32	K	Aq. Solubility Prediction
Tfus	243.63 ± 0.05	K	NIST
Tfus	243.68 ± 0.30	K	NIST
Tfus	243.48 ± 0.30	K	NIST
Tfus	242.95 ± 0.30	K	NIST
Vc	0.385	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.15; 263.60]	J/mol×K	[431.54; 639.91]
Cp,gas	198.15	J/mol×K	431.54	Joback Calculated Property
Cp,gas	210.55	J/mol×K	466.27	Joback Calculated Property
Cp,gas	222.34	J/mol×K	501.00	Joback Calculated Property
Cp,gas	233.52	J/mol×K	535.73	Joback Calculated Property
Cp,gas	244.12	J/mol×K	570.45	Joback Calculated Property
Cp,gas	254.14	J/mol×K	605.18	Joback Calculated Property
Cp,gas	263.60	J/mol×K	639.91	Joback Calculated Property
Cp,liquid	228.50	J/mol×K	298.15	NIST
η	[0.0002090; 0.0025685]	Pa×s	[228.57; 431.54]
η	0.0025685	Pa×s	228.57	Joback Calculated Property
η	0.0012913	Pa×s	262.40	Joback Calculated Property
η	0.0007596	Pa×s	296.23	Joback Calculated Property
η	0.0004982	Pa×s	330.06	Joback Calculated Property
η	0.0003534	Pa×s	363.88	Joback Calculated Property
η	0.0002657	Pa×s	397.71	Joback Calculated Property
η	0.0002090	Pa×s	431.54	Joback Calculated Property
ΔvapH	[40.70; 44.50]	kJ/mol	[422.00; 427.00]
ΔvapH	44.50	kJ/mol	422.00	NIST
ΔvapH	40.70	kJ/mol	422.00	NIST
ΔvapH	44.00	kJ/mol	427.00	NIST
n0	[1.50020; 1.50580]		[298.15; 308.15]
n0	1.50580		298.15	Enthalpies of Mixing, Densities, and Refractive Indices for Binary Mixtures of (Anisole or Phenetole) + Three Aryl Alcohols at 308.15 K and at Atmospheric Pressure
n0	1.50020		308.15	Enthalpies of Mixing, Densities, and Refractive Indices for Binary Mixtures of (Anisole or Phenetole) + Three Aryl Alcohols at 308.15 K and at Atmospheric Pressure
ρl	[942.50; 979.00]	kg/m3	[277.00; 318.15]
ρl	979.00	kg/m3	277.00	KDB
ρl	960.00	kg/m3	298.00	Densities, ultrasonic speeds and refractive indices of phenetole with N-methyl-2-pyrrolidone, N,N-dimethylformamide and tetrahydrofuran binary mixtures at different temperatures
ρl	960.20	kg/m3	298.15	Intermolecular interactions in mixtures of poly (ethylene glycol) with methoxybenzene and ethoxybenzene: Volumetric and viscometric studies
ρl	955.00	kg/m3	303.00	Densities, ultrasonic speeds and refractive indices of phenetole with N-methyl-2-pyrrolidone, N,N-dimethylformamide and tetrahydrofuran binary mixtures at different temperatures
ρl	951.00	kg/m3	308.00	Densities, ultrasonic speeds and refractive indices of phenetole with N-methyl-2-pyrrolidone, N,N-dimethylformamide and tetrahydrofuran binary mixtures at different temperatures
ρl	953.40	kg/m3	308.15	Intermolecular interactions in mixtures of poly (ethylene glycol) with methoxybenzene and ethoxybenzene: Volumetric and viscometric studies
ρl	942.50	kg/m3	318.15	Intermolecular interactions in mixtures of poly (ethylene glycol) with methoxybenzene and ethoxybenzene: Volumetric and viscometric studies

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[327.97; 471.68]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47771e+01
Coefficient B			-3.92315e+03
Coefficient C			-5.72150e+01
Temperature range, min.			327.97
Temperature range, max.			471.68
Pvap	1.33	kPa	327.97	Calculated Property
Pvap	2.99	kPa	343.94	Calculated Property
Pvap	6.15	kPa	359.91	Calculated Property
Pvap	11.77	kPa	375.87	Calculated Property
Pvap	21.18	kPa	391.84	Calculated Property
Pvap	36.13	kPa	407.81	Calculated Property
Pvap	58.82	kPa	423.78	Calculated Property
Pvap	91.95	kPa	439.74	Calculated Property
Pvap	138.69	kPa	455.71	Calculated Property
Pvap	202.65	kPa	471.68	Calculated Property
Pvap	[1.83e-03; 3360.08]	kPa	[243.63; 647.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.30608e+01
Coefficient B			-9.14632e+03
Coefficient C			-1.13117e+01
Coefficient D			5.75060e-06
Temperature range, min.			243.63
Temperature range, max.			647.15
Pvap	1.83e-03	kPa	243.63	Calculated Property
Pvap	0.11	kPa	288.47	Calculated Property
Pvap	1.73	kPa	333.30	Calculated Property
Pvap	12.90	kPa	378.14	Calculated Property
Pvap	57.98	kPa	422.97	Calculated Property
Pvap	185.40	kPa	467.81	Calculated Property
Pvap	468.71	kPa	512.64	Calculated Property
Pvap	1004.64	kPa	557.48	Calculated Property
Pvap	1915.39	kPa	602.31	Calculated Property
Pvap	3360.08	kPa	647.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, ethoxy-.

Mixtures

• Benzene, ethoxy- + 2-Pyrrolidinone, 1-methyl-
• Benzene, ethoxy- + Formamide, N,N-dimethyl-
• Benzene, ethoxy- + Tetrahydrofuran
• Benzene, ethoxy- + Benzyl alcohol
• Benzene, ethoxy- + Phenylethyl Alcohol
• 3-Phenylpropanol + Benzene, ethoxy-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Intermolecular interactions in mixtures of poly (ethylene glycol) with methoxybenzene and ethoxybenzene: Volumetric and viscometric studies
• Densities, ultrasonic speeds and refractive indices of phenetole with N-methyl-2-pyrrolidone, N,N-dimethylformamide and tetrahydrofuran binary mixtures at different temperatures
• Enthalpies of Mixing, Densities, and Refractive Indices for Binary Mixtures of (Anisole or Phenetole) + Three Aryl Alcohols at 308.15 K and at Atmospheric Pressure
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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