Chemical Properties of 2-Methyl-1-(1,1-dimethylethyl)-2-methylpropanoic acid, 1,3-propanediyl ester

InChI

InChI=1S/C15H28O4/c1-9(2)13(16)18-11(5)12(15(6,7)8)19-14(17)10(3)4/h9-12H,1-8H3

InChI Key

FERSOBASMASJSG-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

CC(C)C(=O)OC(C)C(OC(=O)C(C)C)C(C)(C)C

Molecular Weight¹

272.38

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

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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, Ionization energy, 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	[353.65; 813.03]	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			8.87000e+00
Coefficient B			1.46876e+00
Coefficient C			-7.87600e-04
Coefficient D			1.23000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	353.65	J/mol×K	273.00	Calculated Property
Cp,gas	435.36	J/mol×K	353.78	Calculated Property
Cp,gas	508.49	J/mol×K	434.56	Calculated Property
Cp,gas	573.44	J/mol×K	515.33	Calculated Property
Cp,gas	630.60	J/mol×K	596.11	Calculated Property
Cp,gas	680.34	J/mol×K	676.89	Calculated Property
Cp,gas	723.07	J/mol×K	757.67	Calculated Property
Cp,gas	759.17	J/mol×K	838.44	Calculated Property
Cp,gas	789.02	J/mol×K	919.22	Calculated Property
Cp,gas	813.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0165618; 0.0000898]	Pa×s	[285.89; 589.93]	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			-1.42238e+01
Coefficient B			2.89410e+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.			285.89
Temperature range, max.			589.93
η	0.0165618	Pa×s	285.89	Calculated Property
η	0.0056821	Pa×s	319.67	Calculated Property
η	0.0023918	Pa×s	353.45	Calculated Property
η	0.0011708	Pa×s	387.24	Calculated Property
η	0.0006428	Pa×s	421.02	Calculated Property
η	0.0003858	Pa×s	454.80	Calculated Property
η	0.0002484	Pa×s	488.58	Calculated Property
η	0.0001694	Pa×s	522.36	Calculated Property
η	0.0001210	Pa×s	556.15	Calculated Property
η	0.0000898	Pa×s	589.93	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-1-(1,1-dimethylethyl)-2-methylpropanoic acid, 1,3-propanediyl 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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