Chemical Properties of Diethylmalonic acid, 2,6-dimethoxyphenyl pentyl ester

InChI

InChI=1S/C20H30O6/c1-6-9-10-14-25-18(21)20(7-2,8-3)19(22)26-17-15(23-4)12-11-13-16(17)24-5/h11-13H,6-10,14H2,1-5H3

InChI Key

QOOKLABLLUOCSD-UHFFFAOYSA-N

Formula

C20H30O6

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

366.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.52	kJ/mol	Joback Calculated Property
log10WS	-4.04		Relay (1.0) Calculated Property
logPoct/wat	4.149		Crippen Calculated Property
McVol	295.520	ml/mol	McGowan Calculated Property
Pc	1238.09	kPa	Joback Calculated Property
Inp	[2396.00; 2396.00]
Inp	2396.00		NIST
Inp	2396.00		NIST
Tboil	635.60	K	Relay (1.0) Calculated Property
Tfus	338.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[439.62; 981.23]	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			5.67460e+01
Coefficient B			1.59580e+00
Coefficient C			-7.21920e-04
Coefficient D			5.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	439.62	J/mol×K	273.00	Calculated Property
Cp,gas	533.19	J/mol×K	353.78	Calculated Property
Cp,gas	618.04	J/mol×K	434.56	Calculated Property
Cp,gas	694.32	J/mol×K	515.33	Calculated Property
Cp,gas	762.21	J/mol×K	596.11	Calculated Property
Cp,gas	821.85	J/mol×K	676.89	Calculated Property
Cp,gas	873.41	J/mol×K	757.67	Calculated Property
Cp,gas	917.06	J/mol×K	838.44	Calculated Property
Cp,gas	952.94	J/mol×K	919.22	Calculated Property
Cp,gas	981.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003186; 0.0000349]	Pa×s	[498.16; 738.15]	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			-1.48541e+01
Coefficient B			3.38870e+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.			498.16
Temperature range, max.			738.15
η	0.0003186	Pa×s	498.16	Calculated Property
η	0.0002255	Pa×s	524.83	Calculated Property
η	0.0001650	Pa×s	551.49	Calculated Property
η	0.0001243	Pa×s	578.16	Calculated Property
η	0.0000960	Pa×s	604.82	Calculated Property
η	0.0000758	Pa×s	631.49	Calculated Property
η	0.0000610	Pa×s	658.16	Calculated Property
η	0.0000499	Pa×s	684.82	Calculated Property
η	0.0000414	Pa×s	711.49	Calculated Property
η	0.0000349	Pa×s	738.15	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,6-dimethoxyphenyl pentyl ester.

Sources

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

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