Chemical Properties of Dimethylmalonic acid, dihexyl ester

InChI

InChI=1S/C17H32O4/c1-5-7-9-11-13-20-15(18)17(3,4)16(19)21-14-12-10-8-6-2/h5-14H2,1-4H3

InChI Key

NKWAKHUEIQPPBI-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

CCCCCCOC(=O)C(C)(C)C(=O)OCCCCCC

Molecular Weight¹

300.44

• 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	[397.33; 914.06]	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			1.37800e+01
Coefficient B			1.63508e+00
Coefficient C			-8.83600e-04
Coefficient D			1.48800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	397.33	J/mol×K	273.00	Calculated Property
Cp,gas	488.23	J/mol×K	353.78	Calculated Property
Cp,gas	569.67	J/mol×K	434.56	Calculated Property
Cp,gas	642.10	J/mol×K	515.33	Calculated Property
Cp,gas	706.00	J/mol×K	596.11	Calculated Property
Cp,gas	761.85	J/mol×K	676.89	Calculated Property
Cp,gas	810.11	J/mol×K	757.67	Calculated Property
Cp,gas	851.25	J/mol×K	838.44	Calculated Property
Cp,gas	885.74	J/mol×K	919.22	Calculated Property
Cp,gas	914.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024007; 0.0000989]	Pa×s	[368.43; 614.97]	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			-1.39878e+01
Coefficient B			2.93114e+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.			368.43
Temperature range, max.			614.97
η	0.0024007	Pa×s	368.43	Calculated Property
η	0.0013843	Pa×s	395.82	Calculated Property
η	0.0008571	Pa×s	423.22	Calculated Property
η	0.0005626	Pa×s	450.61	Calculated Property
η	0.0003875	Pa×s	478.01	Calculated Property
η	0.0002779	Pa×s	505.40	Calculated Property
η	0.0002063	Pa×s	532.79	Calculated Property
η	0.0001576	Pa×s	560.19	Calculated Property
η	0.0001235	Pa×s	587.58	Calculated Property
η	0.0000989	Pa×s	614.97	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, dihexyl ester.

Sources

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

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