Chemical Properties of o-Ethylanisole (CAS 14804-32-1)

InChI

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

InChI Key

NIEHEMAZEULEKB-UHFFFAOYSA-N

Formula

C9H12O

SMILES

CCc1ccccc1OC

Molecular Weight¹

136.19

CAS

14804-32-1

Other Names

• 2-Ethylanisole
• Benzene, 1-ethyl-2-methoxy-
• 2-Ethylphenol, methyl ether

• 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).
• 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.
• 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	0.4157		Relay (1.0) Calculated Property
ΔfG°	22.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-127.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.91	kJ/mol	Joback Calculated Property
ΔvapH°	55.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log10WS	-2.56		Relay (1.0) Calculated Property
logPoct/wat	2.258		Crippen Calculated Property
McVol	119.780	ml/mol	McGowan Calculated Property
Pc	3145.56	kPa	Joback Calculated Property
Inp	[1060.00; 1092.00]
Inp	1070.00		NIST
Inp	1070.00		NIST
Inp	1086.00		NIST
Inp	1092.00		NIST
Inp	1060.00		NIST
Inp	1092.00		NIST
Tboil	461.31	K	Relay (1.0) Calculated Property
Tc	667.58	K	Relay (1.0) Calculated Property
Tfus	239.48	K	Relay (1.0) Calculated Property
Vc	0.437	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
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

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 101.15]	kPa	[302.90; 460.30]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.57419e+01
Coefficient B			-4.69238e+03
Coefficient C			-3.85230e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			302.90
Temperature range, max.			460.30
Pvap	0.13	kPa	302.90	Calculated Property
Pvap	0.40	kPa	320.39	Calculated Property
Pvap	1.07	kPa	337.88	Calculated Property
Pvap	2.54	kPa	355.37	Calculated Property
Pvap	5.51	kPa	372.86	Calculated Property
Pvap	11.07	kPa	390.34	Calculated Property
Pvap	20.82	kPa	407.83	Calculated Property
Pvap	36.99	kPa	425.32	Calculated Property
Pvap	62.51	kPa	442.81	Calculated Property
Pvap	101.15	kPa	460.30	Calculated Property

Similar Compounds

Find more compounds similar to o-Ethylanisole.

Sources

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

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