Chemical Properties of Ethyl (4-tert-butylphenoxy)acetate (CAS 3344-19-2)

InChI

InChI=1S/C14H20O3/c1-5-16-13(15)10-17-12-8-6-11(7-9-12)14(2,3)4/h6-9H,5,10H2,1-4H3

InChI Key

XKOOVHYJLVRPNR-UHFFFAOYSA-N

Formula

C14H20O3

SMILES

CCOC(=O)COc1ccc(C(C)(C)C)cc1

Molecular Weight¹

236.31

CAS

3344-19-2

Other Names

• ethyl [4-(1,1-dimethylethyl)phenoxy]acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[278.05; 648.11]	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			-3.00800e+00
Coefficient B			1.20328e+00
Coefficient C			-6.68160e-04
Coefficient D			1.16000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.05	J/mol×K	273.00	Calculated Property
Cp,gas	344.20	J/mol×K	353.78	Calculated Property
Cp,gas	403.23	J/mol×K	434.56	Calculated Property
Cp,gas	455.52	J/mol×K	515.33	Calculated Property
Cp,gas	501.42	J/mol×K	596.11	Calculated Property
Cp,gas	541.32	J/mol×K	676.89	Calculated Property
Cp,gas	575.57	J/mol×K	757.67	Calculated Property
Cp,gas	604.54	J/mol×K	838.44	Calculated Property
Cp,gas	628.60	J/mol×K	919.22	Calculated Property
Cp,gas	648.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017398; 0.0001227]	Pa×s	[353.46; 585.79]	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			-1.30399e+01
Coefficient B			2.36319e+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.			353.46
Temperature range, max.			585.79
η	0.0017398	Pa×s	353.46	Calculated Property
η	0.0011038	Pa×s	379.27	Calculated Property
η	0.0007421	Pa×s	405.09	Calculated Property
η	0.0005232	Pa×s	430.90	Calculated Property
η	0.0003837	Pa×s	456.72	Calculated Property
η	0.0002910	Pa×s	482.53	Calculated Property
η	0.0002269	Pa×s	508.34	Calculated Property
η	0.0001812	Pa×s	534.16	Calculated Property
η	0.0001478	Pa×s	559.97	Calculated Property
η	0.0001227	Pa×s	585.79	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl (4-tert-butylphenoxy)acetate.

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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