Chemical Properties of Benzene, (ethoxymethyl)- (CAS 539-30-0)

InChI

InChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChI Key

AXPZDYVDTMMLNB-UHFFFAOYSA-N

Formula

C9H12O

SMILES

CCOCc1ccccc1

Molecular Weight¹

136.19

CAS

539-30-0

Other Names

• (ETHOXYMETHYL)BENZENE
• BENZYL ETHYL OXIDE
• Benzyl ethyl ether
• Ether, benzyl ethyl
• Ethyl benzyl 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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• 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°	32.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-124.78	kJ/mol	Joback Calculated Property
ΔfusH°	14.29	kJ/mol	Joback Calculated Property
ΔvapH°	53.50 ± 0.40	kJ/mol	NIST
IE	8.42	eV	NIST
log10WS	-2.28		Crippen Calculated Property
logPoct/wat	2.223		Crippen Calculated Property
McVol	119.780	ml/mol	McGowan Calculated Property
Pc	3199.16	kPa	Joback Calculated Property
Inp	[1039.50; 1047.90]
Inp	1047.90		NIST
Inp	1039.50		NIST
Inp	1046.00		NIST
I	[1421.00; 1439.00]
I	1421.00		NIST
I	1424.00		NIST
I	1421.00		NIST
I	1421.00		NIST
I	1428.00		NIST
I	1439.00		NIST
I	1438.00		NIST
I	1439.00		NIST
I	1421.00		NIST
Tboil	[458.20; 462.00]	K
Tboil	458.20	K	NIST
Tboil	462.00	K	NIST
Tboil	458.20 ± 0.60	K	NIST
Tboil	458.35 ± 0.40	K	NIST
Tc	660.22	K	Joback Calculated Property
Tfus	239.84	K	Joback Calculated Property
Vc	0.450	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.54; 310.41]	J/mol×K	[454.42; 660.22]
Cp,gas	238.54	J/mol×K	454.42	Joback Calculated Property
Cp,gas	252.16	J/mol×K	488.72	Joback Calculated Property
Cp,gas	265.10	J/mol×K	523.02	Joback Calculated Property
Cp,gas	277.38	J/mol×K	557.32	Joback Calculated Property
Cp,gas	289.01	J/mol×K	591.62	Joback Calculated Property
Cp,gas	300.02	J/mol×K	625.92	Joback Calculated Property
Cp,gas	310.41	J/mol×K	660.22	Joback Calculated Property
η	[0.0002037; 0.0027046]	Pa×s	[239.84; 454.42]
η	0.0027046	Pa×s	239.84	Joback Calculated Property
η	0.0013289	Pa×s	275.60	Joback Calculated Property
η	0.0007687	Pa×s	311.37	Joback Calculated Property
η	0.0004978	Pa×s	347.13	Joback Calculated Property
η	0.0003496	Pa×s	382.89	Joback Calculated Property
η	0.0002608	Pa×s	418.66	Joback Calculated Property
η	0.0002037	Pa×s	454.42	Joback Calculated Property
ΔvapH	48.00	kJ/mol	379.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[336.28; 487.70]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50689e+01
Coefficient B			-4.34681e+03
Coefficient C			-4.22100e+01
Temperature range, min.			336.28
Temperature range, max.			487.70
Pvap	1.33	kPa	336.28	Calculated Property
Pvap	2.97	kPa	353.10	Calculated Property
Pvap	6.08	kPa	369.93	Calculated Property
Pvap	11.62	kPa	386.75	Calculated Property
Pvap	20.91	kPa	403.58	Calculated Property
Pvap	35.70	kPa	420.40	Calculated Property
Pvap	58.25	kPa	437.23	Calculated Property
Pvap	91.32	kPa	454.05	Calculated Property
Pvap	138.18	kPa	470.88	Calculated Property
Pvap	202.66	kPa	487.70	Calculated Property
Pvap	[0.02; 3121.33]	kPa	[275.65; 662.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.98020e+01
Coefficient B			-7.77928e+03
Coefficient C			-6.31706e+00
Coefficient D			2.34148e-06
Temperature range, min.			275.65
Temperature range, max.			662.00
Pvap	0.02	kPa	275.65	Calculated Property
Pvap	0.45	kPa	318.58	Calculated Property
Pvap	3.97	kPa	361.51	Calculated Property
Pvap	20.74	kPa	404.43	Calculated Property
Pvap	75.64	kPa	447.36	Calculated Property
Pvap	213.58	kPa	490.29	Calculated Property
Pvap	499.73	kPa	533.22	Calculated Property
Pvap	1015.83	kPa	576.14	Calculated Property
Pvap	1855.51	kPa	619.07	Calculated Property
Pvap	3121.33	kPa	662.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (ethoxymethyl)-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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