Chemical Properties of Diethylmalonic acid, dodecyl 2-isopropylphenyl ester

InChI

InChI=1S/C28H46O4/c1-6-9-10-11-12-13-14-15-16-19-22-31-26(29)28(7-2,8-3)27(30)32-25-21-18-17-20-24(25)23(4)5/h17-18,20-21,23H,6-16,19,22H2,1-5H3

InChI Key

PCYMJGFTWOHMMX-UHFFFAOYSA-N

Formula

C28H46O4

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

446.66

• 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	[575.66; 1360.53]	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			-1.75070e+01
Coefficient B			2.54760e+00
Coefficient C			-1.44936e-03
Coefficient D			2.79800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	575.66	J/mol×K	273.00	Calculated Property
Cp,gas	714.77	J/mol×K	353.78	Calculated Property
Cp,gas	838.83	J/mol×K	434.56	Calculated Property
Cp,gas	948.74	J/mol×K	515.33	Calculated Property
Cp,gas	1045.39	J/mol×K	596.11	Calculated Property
Cp,gas	1129.65	J/mol×K	676.89	Calculated Property
Cp,gas	1202.40	J/mol×K	757.67	Calculated Property
Cp,gas	1264.55	J/mol×K	838.44	Calculated Property
Cp,gas	1316.96	J/mol×K	919.22	Calculated Property
Cp,gas	1360.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003413; 0.0000170]	Pa×s	[516.34; 844.07]	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			-1.57042e+01
Coefficient B			3.98688e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			516.34
Temperature range, max.			844.07
η	0.0003413	Pa×s	516.34	Calculated Property
η	0.0002052	Pa×s	552.75	Calculated Property
η	0.0001314	Pa×s	589.17	Calculated Property
η	0.0000886	Pa×s	625.58	Calculated Property
η	0.0000624	Pa×s	662.00	Calculated Property
η	0.0000456	Pa×s	698.41	Calculated Property
η	0.0000344	Pa×s	734.83	Calculated Property
η	0.0000266	Pa×s	771.24	Calculated Property
η	0.0000211	Pa×s	807.66	Calculated Property
η	0.0000170	Pa×s	844.07	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl 2-isopropylphenyl ester.

Sources

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

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