Chemical Properties of Diethylmalonic acid, di(3,7-dimethyloctyl) ester

InChI

InChI=1S/C27H52O4/c1-9-27(10-2,25(28)30-19-17-23(7)15-11-13-21(3)4)26(29)31-20-18-24(8)16-12-14-22(5)6/h21-24H,9-20H2,1-8H3

InChI Key

ZJMXNGWBWASFJE-UHFFFAOYSA-N

Formula

C27H52O4

SMILES

CCC(CC)(C(=O)OCCC(C)CCCC(C)C)C(=O)OCCC(C)CCCC(C)C

Molecular Weight¹

440.71

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.21; 1432.12]	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			-2.03800e+00
Coefficient B			2.60876e+00
Coefficient C			-1.44040e-03
Coefficient D			2.65800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	608.21	J/mol×K	273.00	Calculated Property
Cp,gas	752.37	J/mol×K	353.78	Calculated Property
Cp,gas	881.42	J/mol×K	434.56	Calculated Property
Cp,gas	996.19	J/mol×K	515.33	Calculated Property
Cp,gas	1097.53	J/mol×K	596.11	Calculated Property
Cp,gas	1186.28	J/mol×K	676.89	Calculated Property
Cp,gas	1263.27	J/mol×K	757.67	Calculated Property
Cp,gas	1329.34	J/mol×K	838.44	Calculated Property
Cp,gas	1385.35	J/mol×K	919.22	Calculated Property
Cp,gas	1432.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013944; 0.0000154]	Pa×s	[421.13; 796.63]	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			-1.61306e+01
Coefficient B			4.02402e+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.			421.13
Temperature range, max.			796.63
η	0.0013944	Pa×s	421.13	Calculated Property
η	0.0005893	Pa×s	462.85	Calculated Property
η	0.0002871	Pa×s	504.57	Calculated Property
η	0.0001562	Pa×s	546.30	Calculated Property
η	0.0000926	Pa×s	588.02	Calculated Property
η	0.0000588	Pa×s	629.74	Calculated Property
η	0.0000396	Pa×s	671.46	Calculated Property
η	0.0000279	Pa×s	713.18	Calculated Property
η	0.0000204	Pa×s	754.90	Calculated Property
η	0.0000154	Pa×s	796.63	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(3,7-dimethyloctyl) ester.

Sources

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

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