Chemical Properties of Dimethylmalonic acid, octyl pentadecyl ester

InChI

InChI=1S/C28H54O4/c1-5-7-9-11-13-14-15-16-17-18-19-21-23-25-32-27(30)28(3,4)26(29)31-24-22-20-12-10-8-6-2/h5-25H2,1-4H3

InChI Key

PJMXAZJWDDXHGK-UHFFFAOYSA-N

Formula

C28H54O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCCCCCCCC

Molecular Weight¹

454.74

• ω : Acentric Factor.
• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[630.68; 1481.56]	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			3.78100e+00
Coefficient B			2.68008e+00
Coefficient C			-1.48200e-03
Coefficient D			2.79700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	630.68	J/mol×K	273.00	Calculated Property
Cp,gas	778.83	J/mol×K	353.78	Calculated Property
Cp,gas	911.52	J/mol×K	434.56	Calculated Property
Cp,gas	1029.62	J/mol×K	515.33	Calculated Property
Cp,gas	1134.03	J/mol×K	596.11	Calculated Property
Cp,gas	1225.62	J/mol×K	676.89	Calculated Property
Cp,gas	1305.29	J/mol×K	757.67	Calculated Property
Cp,gas	1373.91	J/mol×K	838.44	Calculated Property
Cp,gas	1432.37	J/mol×K	919.22	Calculated Property
Cp,gas	1481.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004501; 0.0000177]	Pa×s	[492.40; 822.57]	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			-1.57623e+01
Coefficient B			3.96690e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			492.40
Temperature range, max.			822.57
η	0.0004501	Pa×s	492.40	Calculated Property
η	0.0002575	Pa×s	529.09	Calculated Property
η	0.0001583	Pa×s	565.77	Calculated Property
η	0.0001033	Pa×s	602.46	Calculated Property
η	0.0000708	Pa×s	639.14	Calculated Property
η	0.0000505	Pa×s	675.83	Calculated Property
η	0.0000374	Pa×s	712.52	Calculated Property
η	0.0000284	Pa×s	749.20	Calculated Property
η	0.0000222	Pa×s	785.89	Calculated Property
η	0.0000177	Pa×s	822.57	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, octyl pentadecyl ester.

Sources

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

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