Chemical Properties of Diethylmalonic acid, isobutyl 5-methoxy-3-methylpentyl ester

InChI

InChI=1S/C18H34O5/c1-7-18(8-2,17(20)23-13-14(3)4)16(19)22-12-10-15(5)9-11-21-6/h14-15H,7-13H2,1-6H3

InChI Key

YYOBIYGUNGANTN-UHFFFAOYSA-N

Formula

C18H34O5

SMILES

CCC(CC)(C(=O)OCCC(C)CCOC)C(=O)OCC(C)C

Molecular Weight¹

330.46

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[433.32; 985.23]	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			3.50070e+01
Coefficient B			1.67872e+00
Coefficient C			-8.33400e-04
Coefficient D			1.04900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	433.32	J/mol×K	273.00	Calculated Property
Cp,gas	529.24	J/mol×K	353.78	Calculated Property
Cp,gas	615.73	J/mol×K	434.56	Calculated Property
Cp,gas	693.14	J/mol×K	515.33	Calculated Property
Cp,gas	761.78	J/mol×K	596.11	Calculated Property
Cp,gas	822.00	J/mol×K	676.89	Calculated Property
Cp,gas	874.12	J/mol×K	757.67	Calculated Property
Cp,gas	918.48	J/mol×K	838.44	Calculated Property
Cp,gas	955.40	J/mol×K	919.22	Calculated Property
Cp,gas	985.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022886; 0.0000563]	Pa×s	[371.93; 649.66]	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			-1.47455e+01
Coefficient B			3.22303e+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.			371.93
Temperature range, max.			649.66
η	0.0022886	Pa×s	371.93	Calculated Property
η	0.0011783	Pa×s	402.79	Calculated Property
η	0.0006667	Pa×s	433.65	Calculated Property
η	0.0004069	Pa×s	464.51	Calculated Property
η	0.0002641	Pa×s	495.36	Calculated Property
η	0.0001803	Pa×s	526.22	Calculated Property
η	0.0001285	Pa×s	557.08	Calculated Property
η	0.0000948	Pa×s	587.94	Calculated Property
η	0.0000721	Pa×s	618.80	Calculated Property
η	0.0000563	Pa×s	649.66	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, isobutyl 5-methoxy-3-methylpentyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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