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

InChI

InChI=1S/C17H32O5/c1-6-11-21-15(18)17(7-2,8-3)16(19)22-13-10-14(4)9-12-20-5/h14H,6-13H2,1-5H3

InChI Key

QEAVHXRAIYNBTN-UHFFFAOYSA-N

Formula

C17H32O5

SMILES

CCCOC(=O)C(CC)(CC)C(=O)OCCC(C)CCOC

Molecular Weight¹

316.43

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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	[412.42; 933.10]	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			3.75980e+01
Coefficient B			1.57780e+00
Coefficient C			-7.75800e-04
Coefficient D			9.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	412.42	J/mol×K	273.00	Calculated Property
Cp,gas	502.83	J/mol×K	353.78	Calculated Property
Cp,gas	584.41	J/mol×K	434.56	Calculated Property
Cp,gas	657.46	J/mol×K	515.33	Calculated Property
Cp,gas	722.27	J/mol×K	596.11	Calculated Property
Cp,gas	779.14	J/mol×K	676.89	Calculated Property
Cp,gas	828.36	J/mol×K	757.67	Calculated Property
Cp,gas	870.23	J/mol×K	838.44	Calculated Property
Cp,gas	905.04	J/mol×K	919.22	Calculated Property
Cp,gas	933.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019743; 0.0000700]	Pa×s	[375.66; 632.29]	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			-1.44559e+01
Coefficient B			3.09105e+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.			375.66
Temperature range, max.			632.29
η	0.0019743	Pa×s	375.66	Calculated Property
η	0.0011048	Pa×s	404.17	Calculated Property
η	0.0006674	Pa×s	432.69	Calculated Property
η	0.0004291	Pa×s	461.20	Calculated Property
η	0.0002905	Pa×s	489.72	Calculated Property
η	0.0002053	Pa×s	518.23	Calculated Property
η	0.0001504	Pa×s	546.75	Calculated Property
η	0.0001136	Pa×s	575.26	Calculated Property
η	0.0000882	Pa×s	603.77	Calculated Property
η	0.0000700	Pa×s	632.29	Calculated Property

Similar Compounds

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

Sources

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

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