Chemical Properties of 1-Methyl-2-methoxyethyl 4-tert-butylbenzoate

InChI

InChI=1S/C15H22O3/c1-11(10-17-5)18-14(16)12-6-8-13(9-7-12)15(2,3)4/h6-9,11H,10H2,1-5H3

InChI Key

BJRMPDQKXHJKKR-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

COCC(C)OC(=O)c1ccc(C(C)(C)C)cc1

Molecular Weight¹

250.33

• 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).
• IE : Ionization energy (eV).
• 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.
• 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

Cheméo can also estimate Critical Volume, 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	[298.95; 700.24]	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			-5.59900e+00
Coefficient B			1.30420e+00
Coefficient C			-7.25760e-04
Coefficient D			1.27400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	298.95	J/mol×K	273.00	Calculated Property
Cp,gas	370.60	J/mol×K	353.78	Calculated Property
Cp,gas	434.55	J/mol×K	434.56	Calculated Property
Cp,gas	491.20	J/mol×K	515.33	Calculated Property
Cp,gas	540.94	J/mol×K	596.11	Calculated Property
Cp,gas	584.18	J/mol×K	676.89	Calculated Property
Cp,gas	621.33	J/mol×K	757.67	Calculated Property
Cp,gas	652.79	J/mol×K	838.44	Calculated Property
Cp,gas	678.96	J/mol×K	919.22	Calculated Property
Cp,gas	700.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020691; 0.0001040]	Pa×s	[349.73; 602.05]	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			-1.33152e+01
Coefficient B			2.49517e+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.			349.73
Temperature range, max.			602.05
η	0.0020691	Pa×s	349.73	Calculated Property
η	0.0012185	Pa×s	377.77	Calculated Property
η	0.0007721	Pa×s	405.80	Calculated Property
η	0.0005189	Pa×s	433.84	Calculated Property
η	0.0003660	Pa×s	461.87	Calculated Property
η	0.0002687	Pa×s	489.91	Calculated Property
η	0.0002039	Pa×s	517.94	Calculated Property
η	0.0001592	Pa×s	545.98	Calculated Property
η	0.0001274	Pa×s	574.01	Calculated Property
η	0.0001040	Pa×s	602.05	Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyl-2-methoxyethyl 4-tert-butylbenzoate.

Sources

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

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