Chemical Properties of Phenol, 4-ethyl-2-methyl- (CAS 2219-73-0)

InChI

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

InChI Key

QDQMEHXIUFCIGR-UHFFFAOYSA-N

Formula

C9H12O

SMILES

CCc1ccc(O)c(C)c1

Molecular Weight¹

136.19

CAS

2219-73-0

Other Names

• 2-Methyl-4-ethylphenol
• 4-Ethyl-2-methylphenol
• 4-Ethyl-o-cresol
• o-Cresol, 4-ethyl-

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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	0.5344		Relay (1.0) Calculated Property
ΔfG°	-26.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-171.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.50	kJ/mol	Joback Calculated Property
ΔvapH°	68.63	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-1.84		Relay (1.0) Calculated Property
logPoct/wat	2.263		Crippen Calculated Property
McVol	119.780	ml/mol	McGowan Calculated Property
Pc	3824.55	kPa	Joback Calculated Property
Inp	1253.00		NIST
I	2192.00		NIST
Tboil	[495.15; 500.95]	K
Tboil	495.15 ± 3.00	K	NIST
Tboil	495.15 ± 3.00	K	NIST
Tboil	500.95 ± 3.00	K	NIST
Tboil	500.45 ± 3.00	K	NIST
Tboil	498.65 ± 3.00	K	NIST
Tboil	500.95 ± 2.00	K	NIST
Tboil	495.15 ± 3.00	K	NIST
Tboil	498.65 ± 4.00	K	NIST
Tboil	497.65 ± 3.00	K	NIST
Tc	713.82	K	Relay (1.0) Calculated Property
Tfus	289.60	K	Relay (1.0) Calculated Property
Vc	0.422	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.59; 384.50]	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			-3.38190e+01
Coefficient B			8.75040e-01
Coefficient C			-6.86320e-04
Coefficient D			2.29600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.59	J/mol×K	273.00	Calculated Property
Cp,gas	200.02	J/mol×K	353.78	Calculated Property
Cp,gas	235.67	J/mol×K	434.56	Calculated Property
Cp,gas	266.28	J/mol×K	515.33	Calculated Property
Cp,gas	292.55	J/mol×K	596.11	Calculated Property
Cp,gas	315.24	J/mol×K	676.89	Calculated Property
Cp,gas	335.05	J/mol×K	757.67	Calculated Property
Cp,gas	352.71	J/mol×K	838.44	Calculated Property
Cp,gas	368.95	J/mol×K	919.22	Calculated Property
Cp,gas	384.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026759; 0.0000699]	Pa×s	[341.85; 518.88]	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			-1.66089e+01
Coefficient B			3.65282e+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.			341.85
Temperature range, max.			518.88
η	0.0026759	Pa×s	341.85	Calculated Property
η	0.0014961	Pa×s	361.52	Calculated Property
η	0.0008882	Pa×s	381.19	Calculated Property
η	0.0005550	Pa×s	400.86	Calculated Property
η	0.0003624	Pa×s	420.53	Calculated Property
η	0.0002458	Pa×s	440.20	Calculated Property
η	0.0001724	Pa×s	459.87	Calculated Property
η	0.0001244	Pa×s	479.54	Calculated Property
η	0.0000922	Pa×s	499.21	Calculated Property
η	0.0000699	Pa×s	518.88	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[380.60; 529.52]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54404e+01
Coefficient B			-4.54949e+03
Coefficient C			-8.03580e+01
Temperature range, min.			380.60
Temperature range, max.			529.52
Pvap	1.33	kPa	380.60	Calculated Property
Pvap	2.94	kPa	397.15	Calculated Property
Pvap	6.00	kPa	413.69	Calculated Property
Pvap	11.44	kPa	430.24	Calculated Property
Pvap	20.59	kPa	446.79	Calculated Property
Pvap	35.20	kPa	463.33	Calculated Property
Pvap	57.57	kPa	479.88	Calculated Property
Pvap	90.55	kPa	496.43	Calculated Property
Pvap	137.57	kPa	512.97	Calculated Property
Pvap	202.66	kPa	529.52	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-ethyl-2-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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