Chemical Properties of Dimethylmalonic acid, neopentyl tridecyl ester

InChI

InChI=1S/C23H44O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-26-20(24)23(5,6)21(25)27-19-22(2,3)4/h7-19H2,1-6H3

InChI Key

ZBFHKRIKCIDNHZ-UHFFFAOYSA-N

Formula

C23H44O4

SMILES

CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(C)(C)C

Molecular Weight¹

384.60

• 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_c : Critical 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 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	[523.15; 1225.07]	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			-1.61470e+01
Coefficient B			2.33092e+00
Coefficient C			-1.38180e-03
Coefficient D			2.92100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	523.15	J/mol×K	273.00	Calculated Property
Cp,gas	648.47	J/mol×K	353.78	Calculated Property
Cp,gas	759.80	J/mol×K	434.56	Calculated Property
Cp,gas	858.07	J/mol×K	515.33	Calculated Property
Cp,gas	944.19	J/mol×K	596.11	Calculated Property
Cp,gas	1019.11	J/mol×K	676.89	Calculated Property
Cp,gas	1083.73	J/mol×K	757.67	Calculated Property
Cp,gas	1138.98	J/mol×K	838.44	Calculated Property
Cp,gas	1185.79	J/mol×K	919.22	Calculated Property
Cp,gas	1225.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009617; 0.0000349]	Pa×s	[438.47; 717.89]	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			-1.54688e+01
Coefficient B			3.73664e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			438.47
Temperature range, max.			717.89
η	0.0009617	Pa×s	438.47	Calculated Property
η	0.0005474	Pa×s	469.52	Calculated Property
η	0.0003341	Pa×s	500.56	Calculated Property
η	0.0002161	Pa×s	531.61	Calculated Property
η	0.0001466	Pa×s	562.66	Calculated Property
η	0.0001036	Pa×s	593.70	Calculated Property
η	0.0000758	Pa×s	624.75	Calculated Property
η	0.0000571	Pa×s	655.80	Calculated Property
η	0.0000441	Pa×s	686.84	Calculated Property
η	0.0000349	Pa×s	717.89	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, neopentyl tridecyl ester.

Sources

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

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