Chemical Properties of Propionic acid, 3,3-diethoxy-2,2-dimethyl-, ethyl ester

InChI

InChI=1S/C11H22O4/c1-6-13-9(12)11(4,5)10(14-7-2)15-8-3/h10H,6-8H2,1-5H3

InChI Key

NCXYYMZLOQQCRW-UHFFFAOYSA-N

Formula

C11H22O4

SMILES

CCOC(=O)C(C)(C)C(OCC)OCC

Molecular Weight¹

218.29

• 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).
• 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, 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	[284.20; 633.94]	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			4.31430e+01
Coefficient B			9.99400e-01
Coefficient C			-4.33000e-04
Coefficient D			2.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.20	J/mol×K	273.00	Calculated Property
Cp,gas	343.60	J/mol×K	353.78	Calculated Property
Cp,gas	397.67	J/mol×K	434.56	Calculated Property
Cp,gas	446.52	J/mol×K	515.33	Calculated Property
Cp,gas	490.20	J/mol×K	596.11	Calculated Property
Cp,gas	528.80	J/mol×K	676.89	Calculated Property
Cp,gas	562.40	J/mol×K	757.67	Calculated Property
Cp,gas	591.07	J/mol×K	838.44	Calculated Property
Cp,gas	614.89	J/mol×K	919.22	Calculated Property
Cp,gas	633.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044777; 0.0001457]	Pa×s	[287.94; 511.19]	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			-1.32522e+01
Coefficient B			2.25846e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			287.94
Temperature range, max.			511.19
η	0.0044777	Pa×s	287.94	Calculated Property
η	0.0024036	Pa×s	312.75	Calculated Property
η	0.0014138	Pa×s	337.55	Calculated Property
η	0.0008943	Pa×s	362.36	Calculated Property
η	0.0005999	Pa×s	387.16	Calculated Property
η	0.0004222	Pa×s	411.97	Calculated Property
η	0.0003092	Pa×s	436.78	Calculated Property
η	0.0002342	Pa×s	461.58	Calculated Property
η	0.0001825	Pa×s	486.39	Calculated Property
η	0.0001457	Pa×s	511.19	Calculated Property

Similar Compounds

Find more compounds similar to Propionic acid, 3,3-diethoxy-2,2-dimethyl-, ethyl ester.

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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