Chemical Properties of Dimethylmalonic acid, diheptyl ester

InChI

InChI=1S/C19H36O4/c1-5-7-9-11-13-15-22-17(20)19(3,4)18(21)23-16-14-12-10-8-6-2/h5-16H2,1-4H3

InChI Key

MMTLBRAYABUITQ-UHFFFAOYSA-N

Formula

C19H36O4

SMILES

CCCCCCCOC(=O)C(C)(C)C(=O)OCCCCCCC

Molecular Weight¹

328.49

• 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	[439.76; 1017.24]	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			1.19620e+01
Coefficient B			1.82508e+00
Coefficient C			-9.92400e-04
Coefficient D			1.72600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	439.76	J/mol×K	273.00	Calculated Property
Cp,gas	541.07	J/mol×K	353.78	Calculated Property
Cp,gas	631.82	J/mol×K	434.56	Calculated Property
Cp,gas	712.56	J/mol×K	515.33	Calculated Property
Cp,gas	783.83	J/mol×K	596.11	Calculated Property
Cp,gas	846.17	J/mol×K	676.89	Calculated Property
Cp,gas	900.14	J/mol×K	757.67	Calculated Property
Cp,gas	946.28	J/mol×K	838.44	Calculated Property
Cp,gas	985.13	J/mol×K	919.22	Calculated Property
Cp,gas	1017.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018041; 0.0000762]	Pa×s	[390.97; 648.00]	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			-1.42965e+01
Coefficient B			3.11946e+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.			390.97
Temperature range, max.			648.00
η	0.0018041	Pa×s	390.97	Calculated Property
η	0.0010480	Pa×s	419.53	Calculated Property
η	0.0006524	Pa×s	448.09	Calculated Property
η	0.0004299	Pa×s	476.65	Calculated Property
η	0.0002970	Pa×s	505.21	Calculated Property
η	0.0002134	Pa×s	533.77	Calculated Property
η	0.0001586	Pa×s	562.33	Calculated Property
η	0.0001213	Pa×s	590.88	Calculated Property
η	0.0000951	Pa×s	619.44	Calculated Property
η	0.0000762	Pa×s	648.00	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, diheptyl ester.

Sources

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

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