Chemical Properties of Phenol, 4-ethyl-2-methoxy- (CAS 2785-89-9)

InChI

InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3

InChI Key

CHWNEIVBYREQRF-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

CCc1ccc(O)c(OC)c1

Molecular Weight¹

152.19

CAS

2785-89-9

Other Names

• 2-Methoxy-4-ethylphenol
• 4-Ethyl-2-methoxyphenol
• 4-Ethyl-2-methoxyphenol (4-ethylguaiacol)
• 4-Ethyl-2-metoxy phenol
• 4-Ethylguaiacol
• 4-Hydroxy-3-methoxy ethylbenzene
• 4-ethyl guiacol
• Guaiacol, 4-ethyl
• Phenol, 2-methoxy-4-ethyl
• ethylguiacol (4-ethyl-2-methoxyphenol)
• p-Ethyl-2-methoxyphenol
• p-Ethylguaiacol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I_p : 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	0.6001		Relay (1.0) Calculated Property
ΔfH°gas	-292.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.69	kJ/mol	Joback Calculated Property
ΔvapH°	69.85	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-2.00		Relay (1.0) Calculated Property
logPoct/wat	1.963		Crippen Calculated Property
McVol	125.650	ml/mol	McGowan Calculated Property
Pc	3745.38	kPa	Joback Calculated Property
Inp	[1243.00; 1299.00]
Inp	1282.00		NIST
Inp	1250.00		NIST
Inp	1243.00		NIST
Inp	1254.00		NIST
Inp	1275.00		NIST
Inp	1278.00		NIST
Inp	1287.00		NIST
Inp	1287.00		NIST
Inp	1284.90		NIST
Inp	1285.60		NIST
Inp	1260.00		NIST
Inp	1268.00		NIST
Inp	1285.00		NIST
Inp	1285.00		NIST
Inp	1286.00		NIST
Inp	1299.00		NIST
Inp	1280.00		NIST
Inp	1285.00		NIST
Inp	1286.00		NIST
Inp	1288.00		NIST
Inp	1245.00		NIST
Inp	1244.00		NIST
Inp	1253.00		NIST
Inp	1281.00		NIST
Inp	1279.00		NIST
Inp	1247.00		NIST
Inp	1250.00		NIST
Inp	1265.00		NIST
Inp	1254.00		NIST
Inp	1281.00		NIST
Inp	1283.00		NIST
Inp	1288.00		NIST
Inp	1285.00		NIST
Inp	1288.00		NIST
Inp	1250.00		NIST
Inp	1247.00		NIST
Inp	1260.00		NIST
Inp	1257.00		NIST
Inp	1282.00		NIST
Inp	1284.00		NIST
Inp	1264.00		NIST
Inp	1286.00		NIST
Inp	1285.00		NIST
Inp	1274.00		NIST
Inp	1263.00		NIST
Inp	1275.00		NIST
Inp	1281.00		NIST
Inp	1280.00		NIST
Inp	1247.00		NIST
Inp	1252.00		NIST
Inp	1243.00		NIST
Inp	1270.00		NIST
Inp	1265.00		NIST
Inp	1280.00		NIST
Inp	1277.00		NIST
Inp	1246.00		NIST
Inp	1290.00		NIST
Inp	1278.00		NIST
Inp	1287.00		NIST
Inp	1282.00		NIST
Inp	1278.00		NIST
Inp	1286.00		NIST
Inp	1288.00		NIST
Inp	1279.00		NIST
Inp	1281.00		NIST
Inp	1250.00		NIST
Ip	[1983.00; 2068.00]
Ip	2033.00		NIST
Ip	2048.00		NIST
Ip	2002.00		NIST
Ip	2036.00		NIST
Ip	2032.00		NIST
Ip	2055.00		NIST
Ip	2034.00		NIST
Ip	2039.00		NIST
Ip	2038.00		NIST
Ip	2020.00		NIST
Ip	2024.00		NIST
Ip	2020.00		NIST
Ip	2038.00		NIST
Ip	2032.00		NIST
Ip	2032.00		NIST
Ip	2047.00		NIST
Ip	Outlier 1983.00		NIST
Ip	Outlier 1987.00		NIST
Ip	2008.00		NIST
Ip	2031.00		NIST
Ip	2061.00		NIST
Ip	2065.00		NIST
Ip	2065.00		NIST
Ip	2024.00		NIST
Ip	2010.00		NIST
Ip	2033.00		NIST
Ip	2057.00		NIST
Ip	2024.00		NIST
Ip	2065.00		NIST
Ip	2031.00		NIST
Ip	2034.00		NIST
Ip	2031.00		NIST
Ip	2030.00		NIST
Ip	Outlier 1984.00		NIST
Ip	2068.00		NIST
Ip	2026.00		NIST
Ip	2039.00		NIST
Ip	2054.00		NIST
Ip	2040.00		NIST
Ip	2048.00		NIST
Ip	2024.00		NIST
Ip	2034.00		NIST
Ip	2065.00		NIST
Ip	2061.00		NIST
Ip	2065.00		NIST
Ip	Outlier 1989.00		NIST
Ip	2020.00		NIST
Ip	2048.00		NIST
Ip	2048.00		NIST
Ip	2015.00		NIST
Ip	2025.00		NIST
Ip	2028.00		NIST
Ip	2032.00		NIST
Ip	Outlier 1985.00		NIST
Ip	2032.00		NIST
Ip	2030.00		NIST
Ip	2033.00		NIST
Ip	2034.00		NIST
Ip	2047.00		NIST
Ip	2034.00		NIST
Ip	2068.00		NIST
Ip	2002.00		NIST
Ip	2034.00		NIST
Ip	2011.00		NIST
Ip	2012.00		NIST
Ip	2010.00		NIST
Ip	2023.00		NIST
Ip	2014.00		NIST
Ip	2068.00		NIST
Ip	2024.00		NIST
Ip	2058.00		NIST
Ip	2032.00		NIST
Ip	2019.00		NIST
Ip	2027.00		NIST
Ip	2011.00		NIST
Ip	2032.00		NIST
Ip	1994.00		NIST
Ip	2033.00		NIST
Ip	2032.00		NIST
Ip	2032.00		NIST
Ip	2034.00		NIST
Ip	2012.00		NIST
Ip	2024.00		NIST
Ip	2011.00		NIST
Ip	2061.00		NIST
Ip	2033.00		NIST
Ip	2026.00		NIST
Ip	Outlier 1989.00		NIST
Ip	2025.00		NIST
Tboil	507.09	K	Relay (1.0) Calculated Property
Tc	726.40	K	Relay (1.0) Calculated Property
Tfus	277.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.447	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.99; 403.00]	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			-8.31900e+00
Coefficient B			8.11840e-01
Coefficient C			-5.75320e-04
Coefficient D			1.74800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.99	J/mol×K	273.00	Calculated Property
Cp,gas	214.63	J/mol×K	353.78	Calculated Property
Cp,gas	250.17	J/mol×K	434.56	Calculated Property
Cp,gas	281.18	J/mol×K	515.33	Calculated Property
Cp,gas	308.22	J/mol×K	596.11	Calculated Property
Cp,gas	331.82	J/mol×K	676.89	Calculated Property
Cp,gas	352.55	J/mol×K	757.67	Calculated Property
Cp,gas	370.95	J/mol×K	838.44	Calculated Property
Cp,gas	387.58	J/mol×K	919.22	Calculated Property
Cp,gas	403.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0382584; 0.0000556]	Pa×s	[277.15; 532.75]	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			-1.68839e+01
Coefficient B			3.77491e+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.			277.15
Temperature range, max.			532.75
η	0.0382584	Pa×s	277.15	Calculated Property
η	0.0107873	Pa×s	305.55	Calculated Property
η	0.0037724	Pa×s	333.95	Calculated Property
η	0.0015554	Pa×s	362.35	Calculated Property
η	0.0007295	Pa×s	390.75	Calculated Property
η	0.0003791	Pa×s	419.15	Calculated Property
η	0.0002141	Pa×s	447.55	Calculated Property
η	0.0001294	Pa×s	475.95	Calculated Property
η	0.0000828	Pa×s	504.35	Calculated Property
η	0.0000556	Pa×s	532.75	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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