Chemical Properties of Benzene, 1-ethoxy-2-methyl- (CAS 614-71-1)

InChI

InChI=1S/C9H12O/c1-3-10-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3

InChI Key

JWMKUKRBNODZFA-UHFFFAOYSA-N

Formula

C9H12O

SMILES

CCOc1ccccc1C

Molecular Weight¹

136.19

CAS

614-71-1

Other Names

• Phenetole, o-methyl-
• o-Ethoxytoluene
• Ethyl o-tolyl ether
• 1-Ethoxy-2-methylbenzene
• 2-Ethoxytoluene
• o-Methylphenetole

• ω : Acentric Factor.
• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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	0.4108		Relay (1.0) Calculated Property
ΔfG°	22.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-153.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.91	kJ/mol	Joback Calculated Property
ΔvapH°	52.26	kJ/mol	Relay (1.0) Calculated Property
IE	[8.00; 8.40]	eV
IE	8.00	eV	NIST
IE	8.40	eV	NIST
IE	8.21	eV	NIST
log10WS	-2.37		Relay (1.0) Calculated Property
logPoct/wat	2.394		Crippen Calculated Property
McVol	119.780	ml/mol	McGowan Calculated Property
Pc	3145.56	kPa	Joback Calculated Property
Inp	[1054.50; 1054.50]
Inp	1054.50		NIST
Inp	1054.50		NIST
Tboil	[457.20; 458.00]	K
Tboil	457.20	K	NIST
Tboil	458.00 ± 2.00	K	NIST
Tc	667.48	K	Relay (1.0) Calculated Property
Tfus	243.97	K	Relay (1.0) Calculated Property
Vc	0.443	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.10; 380.58]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.01000e-01
Coefficient B			6.57240e-01
Coefficient C			-3.18960e-04
Coefficient D			4.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.10	J/mol×K	273.00	Calculated Property
Cp,gas	195.04	J/mol×K	353.78	Calculated Property
Cp,gas	229.40	J/mol×K	434.56	Calculated Property
Cp,gas	260.30	J/mol×K	515.33	Calculated Property
Cp,gas	287.88	J/mol×K	596.11	Calculated Property
Cp,gas	312.27	J/mol×K	676.89	Calculated Property
Cp,gas	333.61	J/mol×K	757.67	Calculated Property
Cp,gas	352.01	J/mol×K	838.44	Calculated Property
Cp,gas	367.63	J/mol×K	919.22	Calculated Property
Cp,gas	380.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018481; 0.0001858]	Pa×s	[252.36; 466.79]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.12949e+01
Coefficient B			1.26213e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			252.36
Temperature range, max.			466.79
η	0.0018481	Pa×s	252.36	Calculated Property
η	0.0012004	Pa×s	276.19	Calculated Property
η	0.0008351	Pa×s	300.01	Calculated Property
η	0.0006128	Pa×s	323.84	Calculated Property
η	0.0004691	Pa×s	347.66	Calculated Property
η	0.0003717	Pa×s	371.49	Calculated Property
η	0.0003029	Pa×s	395.31	Calculated Property
η	0.0002526	Pa×s	419.14	Calculated Property
η	0.0002148	Pa×s	442.97	Calculated Property
η	0.0001858	Pa×s	466.79	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-ethoxy-2-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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