Chemical Properties of Dimethylmalonic acid, di(2-octyl) ester

InChI

InChI=1S/C21H40O4/c1-7-9-11-13-15-17(3)24-19(22)21(5,6)20(23)25-18(4)16-14-12-10-8-2/h17-18H,7-16H2,1-6H3

InChI Key

GUICPTOYTCEVOA-UHFFFAOYSA-N

Formula

C21H40O4

SMILES

CCCCCCC(C)OC(=O)C(C)(C)C(=O)OC(C)CCCCCC

Molecular Weight¹

356.54

• 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	[481.56; 1121.50]	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			6.78000e+00
Coefficient B			2.02692e+00
Coefficient C			-1.10760e-03
Coefficient D			1.95400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	481.56	J/mol×K	273.00	Calculated Property
Cp,gas	593.89	J/mol×K	353.78	Calculated Property
Cp,gas	694.47	J/mol×K	434.56	Calculated Property
Cp,gas	783.92	J/mol×K	515.33	Calculated Property
Cp,gas	862.86	J/mol×K	596.11	Calculated Property
Cp,gas	931.90	J/mol×K	676.89	Calculated Property
Cp,gas	991.67	J/mol×K	757.67	Calculated Property
Cp,gas	1042.78	J/mol×K	838.44	Calculated Property
Cp,gas	1085.85	J/mol×K	919.22	Calculated Property
Cp,gas	1121.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023384; 0.0000486]	Pa×s	[383.51; 683.58]	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			-1.48805e+01
Coefficient B			3.38342e+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.			383.51
Temperature range, max.			683.58
η	0.0023384	Pa×s	383.51	Calculated Property
η	0.0011547	Pa×s	416.85	Calculated Property
η	0.0006330	Pa×s	450.19	Calculated Property
η	0.0003770	Pa×s	483.53	Calculated Property
η	0.0002401	Pa×s	516.87	Calculated Property
η	0.0001615	Pa×s	550.21	Calculated Property
η	0.0001136	Pa×s	583.55	Calculated Property
η	0.0000831	Pa×s	616.90	Calculated Property
η	0.0000627	Pa×s	650.24	Calculated Property
η	0.0000486	Pa×s	683.58	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(2-octyl) ester.

Sources

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

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