Chemical Properties of Diethylmalonic acid, hexadecyl 3-methylphenyl ester

InChI

InChI=1S/C30H50O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-28(31)30(6-2,7-3)29(32)34-27-23-21-22-26(4)25-27/h21-23,25H,5-20,24H2,1-4H3

InChI Key

PMPCUOICRDXDRU-UHFFFAOYSA-N

Formula

C30H50O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C)c1

Molecular Weight¹

474.73

• 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).
• IE : Ionization energy (eV).
• 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 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	[618.40; 1463.18]	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			-1.76430e+01
Coefficient B			2.73168e+00
Coefficient C			-1.55496e-03
Coefficient D			3.04100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	618.40	J/mol×K	273.00	Calculated Property
Cp,gas	767.61	J/mol×K	353.78	Calculated Property
Cp,gas	900.74	J/mol×K	434.56	Calculated Property
Cp,gas	1018.75	J/mol×K	515.33	Calculated Property
Cp,gas	1122.61	J/mol×K	596.11	Calculated Property
Cp,gas	1213.26	J/mol×K	676.89	Calculated Property
Cp,gas	1291.69	J/mol×K	757.67	Calculated Property
Cp,gas	1358.84	J/mol×K	838.44	Calculated Property
Cp,gas	1415.68	J/mol×K	919.22	Calculated Property
Cp,gas	1463.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002166; 0.0000131]	Pa×s	[553.88; 887.30]	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			-1.59073e+01
Coefficient B			4.13738e+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.			553.88
Temperature range, max.			887.30
η	0.0002166	Pa×s	553.88	Calculated Property
η	0.0001356	Pa×s	590.93	Calculated Property
η	0.0000897	Pa×s	627.97	Calculated Property
η	0.0000622	Pa×s	665.02	Calculated Property
η	0.0000448	Pa×s	702.07	Calculated Property
η	0.0000333	Pa×s	739.11	Calculated Property
η	0.0000255	Pa×s	776.16	Calculated Property
η	0.0000200	Pa×s	813.20	Calculated Property
η	0.0000160	Pa×s	850.25	Calculated Property
η	0.0000131	Pa×s	887.30	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hexadecyl 3-methylphenyl ester.

Sources

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

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