Chemical Properties of Dimethylmalonic acid, 2-isopropoxyphenyl octyl ester

InChI

InChI=1S/C22H34O5/c1-6-7-8-9-10-13-16-25-20(23)22(4,5)21(24)27-19-15-12-11-14-18(19)26-17(2)3/h11-12,14-15,17H,6-10,13,16H2,1-5H3

InChI Key

CBKVLWADKPGLEQ-UHFFFAOYSA-N

Formula

C22H34O5

SMILES

CCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

378.50

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[463.78; 1069.49]	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			1.34470e+01
Coefficient B			1.91440e+00
Coefficient C			-1.01196e-03
Coefficient D			1.53600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	463.78	J/mol×K	273.00	Calculated Property
Cp,gas	570.86	J/mol×K	353.78	Calculated Property
Cp,gas	666.87	J/mol×K	434.56	Calculated Property
Cp,gas	752.28	J/mol×K	515.33	Calculated Property
Cp,gas	827.58	J/mol×K	596.11	Calculated Property
Cp,gas	893.26	J/mol×K	676.89	Calculated Property
Cp,gas	949.81	J/mol×K	757.67	Calculated Property
Cp,gas	997.70	J/mol×K	838.44	Calculated Property
Cp,gas	1037.43	J/mol×K	919.22	Calculated Property
Cp,gas	1069.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005332; 0.0000321]	Pa×s	[470.95; 751.64]	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			-1.50618e+01
Coefficient B			3.54401e+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.			470.95
Temperature range, max.			751.64
η	0.0005332	Pa×s	470.95	Calculated Property
η	0.0003342	Pa×s	502.14	Calculated Property
η	0.0002212	Pa×s	533.33	Calculated Property
η	0.0001532	Pa×s	564.51	Calculated Property
η	0.0001103	Pa×s	595.70	Calculated Property
η	0.0000820	Pa×s	626.89	Calculated Property
η	0.0000627	Pa×s	658.08	Calculated Property
η	0.0000492	Pa×s	689.27	Calculated Property
η	0.0000394	Pa×s	720.45	Calculated Property
η	0.0000321	Pa×s	751.64	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-isopropoxyphenyl octyl ester.

Sources

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

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