Chemical Properties of 4-ETHOXYMETHYLPHENOL

InChI

InChI=1S/C9H12O2/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,10H,2,7H2,1H3

InChI Key

UWQZVUQKBWZNLN-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

CCOCc1ccc(O)cc1

Molecular Weight¹

152.19

Other Names

• «alpha»-ethoxy-p-cresol

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-275.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.08	kJ/mol	Joback Calculated Property
ΔvapH°	71.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-0.96		Relay (1.0) Calculated Property
logPoct/wat	1.929		Crippen Calculated Property
McVol	125.650	ml/mol	McGowan Calculated Property
Inp	[1378.70; 1378.70]
Inp	1378.70		NIST
Inp	1378.70		NIST
Tboil	520.94	K	Relay (1.0) Calculated Property
Tc	729.34	K	Relay (1.0) Calculated Property
Tfus	317.05	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[171.44; 406.04]	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			-2.26180e+01
Coefficient B			8.71320e-01
Coefficient C			-6.42360e-04
Coefficient D			1.99700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.44	J/mol×K	273.00	Calculated Property
Cp,gas	214.08	J/mol×K	353.78	Calculated Property
Cp,gas	251.10	J/mol×K	434.56	Calculated Property
Cp,gas	283.14	J/mol×K	515.33	Calculated Property
Cp,gas	310.83	J/mol×K	596.11	Calculated Property
Cp,gas	334.79	J/mol×K	676.89	Calculated Property
Cp,gas	355.66	J/mol×K	757.67	Calculated Property
Cp,gas	374.07	J/mol×K	838.44	Calculated Property
Cp,gas	390.65	J/mol×K	919.22	Calculated Property
Cp,gas	406.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022554; 0.0000590]	Pa×s	[351.56; 528.48]	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			-1.69779e+01
Coefficient B			3.82617e+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.			351.56
Temperature range, max.			528.48
η	0.0022554	Pa×s	351.56	Calculated Property
η	0.0012674	Pa×s	371.22	Calculated Property
η	0.0007548	Pa×s	390.87	Calculated Property
η	0.0004723	Pa×s	410.53	Calculated Property
η	0.0003085	Pa×s	430.19	Calculated Property
η	0.0002092	Pa×s	449.85	Calculated Property
η	0.0001465	Pa×s	469.50	Calculated Property
η	0.0001056	Pa×s	489.16	Calculated Property
η	0.0000781	Pa×s	508.82	Calculated Property
η	0.0000590	Pa×s	528.48	Calculated Property

Similar Compounds

Find more compounds similar to 4-ETHOXYMETHYLPHENOL.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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