Chemical Properties of Dimethylmalonic acid, dodecyl isohexyl ester

InChI

InChI=1S/C23H44O4/c1-6-7-8-9-10-11-12-13-14-15-18-26-21(24)23(4,5)22(25)27-19-16-17-20(2)3/h20H,6-19H2,1-5H3

InChI Key

QXYWORJUOCBWQX-UHFFFAOYSA-N

Formula

C23H44O4

SMILES

CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCCCC(C)C

Molecular Weight¹

384.59

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.30; 1224.14]	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			6.64400e+00
Coefficient B			2.21100e+00
Coefficient C			-1.21320e-03
Coefficient D			2.19700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	524.30	J/mol×K	273.00	Calculated Property
Cp,gas	646.73	J/mol×K	353.78	Calculated Property
Cp,gas	756.38	J/mol×K	434.56	Calculated Property
Cp,gas	853.93	J/mol×K	515.33	Calculated Property
Cp,gas	940.08	J/mol×K	596.11	Calculated Property
Cp,gas	1015.52	J/mol×K	676.89	Calculated Property
Cp,gas	1080.95	J/mol×K	757.67	Calculated Property
Cp,gas	1137.07	J/mol×K	838.44	Calculated Property
Cp,gas	1184.57	J/mol×K	919.22	Calculated Property
Cp,gas	1224.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012612; 0.0000388]	Pa×s	[421.05; 719.38]	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			-1.50688e+01
Coefficient B			3.53392e+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.			421.05
Temperature range, max.			719.38
η	0.0012612	Pa×s	421.05	Calculated Property
η	0.0006835	Pa×s	454.20	Calculated Property
η	0.0004027	Pa×s	487.35	Calculated Property
η	0.0002537	Pa×s	520.49	Calculated Property
η	0.0001690	Pa×s	553.64	Calculated Property
η	0.0001178	Pa×s	586.79	Calculated Property
η	0.0000854	Pa×s	619.94	Calculated Property
η	0.0000639	Pa×s	653.09	Calculated Property
η	0.0000492	Pa×s	686.23	Calculated Property
η	0.0000388	Pa×s	719.38	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, dodecyl isohexyl ester.

Sources

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

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