Chemical Properties of Dimethylmalonic acid, 4-acetylphenyl tridecyl ester

InChI

InChI=1S/C26H40O5/c1-5-6-7-8-9-10-11-12-13-14-15-20-30-24(28)26(3,4)25(29)31-23-18-16-22(17-19-23)21(2)27/h16-19H,5-15,20H2,1-4H3

InChI Key

NUQIMPDVRJHXBT-UHFFFAOYSA-N

Formula

C26H40O5

SMILES

CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

432.60

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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, 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	[534.47; 1245.83]	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			-6.64800e+00
Coefficient B			2.32368e+00
Coefficient C			-1.31866e-03
Coefficient D			2.47460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	534.47	J/mol×K	273.00	Calculated Property
Cp,gas	661.33	J/mol×K	353.78	Calculated Property
Cp,gas	774.41	J/mol×K	434.56	Calculated Property
Cp,gas	874.49	J/mol×K	515.33	Calculated Property
Cp,gas	962.36	J/mol×K	596.11	Calculated Property
Cp,gas	1038.79	J/mol×K	676.89	Calculated Property
Cp,gas	1104.57	J/mol×K	757.67	Calculated Property
Cp,gas	1160.48	J/mol×K	838.44	Calculated Property
Cp,gas	1207.31	J/mol×K	919.22	Calculated Property
Cp,gas	1245.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002792; 0.0000238]	Pa×s	[558.73; 851.20]	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			-1.53552e+01
Coefficient B			4.00693e+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.			558.73
Temperature range, max.			851.20
η	0.0002792	Pa×s	558.73	Calculated Property
η	0.0001882	Pa×s	591.23	Calculated Property
η	0.0001322	Pa×s	623.72	Calculated Property
η	0.0000962	Pa×s	656.22	Calculated Property
η	0.0000721	Pa×s	688.71	Calculated Property
η	0.0000555	Pa×s	721.21	Calculated Property
η	0.0000437	Pa×s	753.71	Calculated Property
η	0.0000351	Pa×s	786.20	Calculated Property
η	0.0000286	Pa×s	818.70	Calculated Property
η	0.0000238	Pa×s	851.20	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 4-acetylphenyl tridecyl ester.

Sources

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

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