Chemical Properties of Dimethylmalonic acid, 3-ethylphenyl undecyl ester

InChI

InChI=1S/C24H38O4/c1-5-7-8-9-10-11-12-13-14-18-27-22(25)24(3,4)23(26)28-21-17-15-16-20(6-2)19-21/h15-17,19H,5-14,18H2,1-4H3

InChI Key

HSPMFWFSBCPGCL-UHFFFAOYSA-N

Formula

C24H38O4

SMILES

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

Molecular Weight¹

390.56

• 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	[491.12; 1153.63]	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			-1.21890e+01
Coefficient B			2.16168e+00
Coefficient C			-1.22856e-03
Coefficient D			2.32700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	491.12	J/mol×K	273.00	Calculated Property
Cp,gas	609.10	J/mol×K	353.78	Calculated Property
Cp,gas	714.28	J/mol×K	434.56	Calculated Property
Cp,gas	807.38	J/mol×K	515.33	Calculated Property
Cp,gas	889.14	J/mol×K	596.11	Calculated Property
Cp,gas	960.30	J/mol×K	676.89	Calculated Property
Cp,gas	1021.59	J/mol×K	757.67	Calculated Property
Cp,gas	1073.75	J/mol×K	838.44	Calculated Property
Cp,gas	1117.52	J/mol×K	919.22	Calculated Property
Cp,gas	1153.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005200; 0.0000350]	Pa×s	[486.26; 768.54]	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			-1.49084e+01
Coefficient B			3.57242e+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.			486.26
Temperature range, max.			768.54
η	0.0005200	Pa×s	486.26	Calculated Property
η	0.0003332	Pa×s	517.62	Calculated Property
η	0.0002246	Pa×s	548.99	Calculated Property
η	0.0001580	Pa×s	580.35	Calculated Property
η	0.0001152	Pa×s	611.72	Calculated Property
η	0.0000867	Pa×s	643.08	Calculated Property
η	0.0000669	Pa×s	674.44	Calculated Property
η	0.0000529	Pa×s	705.81	Calculated Property
η	0.0000427	Pa×s	737.17	Calculated Property
η	0.0000350	Pa×s	768.54	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 3-ethylphenyl undecyl ester.

Sources

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

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