Chemical Properties of Diethylmalonic acid, di(2,6-dimethoxyphenyl) ester

InChI

InChI=1S/C23H28O8/c1-7-23(8-2,21(24)30-19-15(26-3)11-9-12-16(19)27-4)22(25)31-20-17(28-5)13-10-14-18(20)29-6/h9-14H,7-8H2,1-6H3

InChI Key

WHCVATGOQAVFTQ-UHFFFAOYSA-N

Formula

C23H28O8

SMILES

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

Molecular Weight¹

432.46

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	47.93	kJ/mol	Joback Calculated Property
IE	7.79	eV	Relay (1.0) Calculated Property
log10WS	-3.92		Relay (1.0) Calculated Property
logPoct/wat	4.038		Crippen Calculated Property
McVol	325.770	ml/mol	McGowan Calculated Property
Inp	[2963.00; 2963.00]
Inp	2963.00		NIST
Inp	2963.00		NIST
Tboil	692.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[481.92; 1048.39]	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			9.97120e+01
Coefficient B			1.55652e+00
Coefficient C			-5.60240e-04
Coefficient D			-4.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	481.92	J/mol×K	273.00	Calculated Property
Cp,gas	578.15	J/mol×K	353.78	Calculated Property
Cp,gas	666.41	J/mol×K	434.56	Calculated Property
Cp,gas	746.54	J/mol×K	515.33	Calculated Property
Cp,gas	818.41	J/mol×K	596.11	Calculated Property
Cp,gas	881.85	J/mol×K	676.89	Calculated Property
Cp,gas	936.72	J/mol×K	757.67	Calculated Property
Cp,gas	982.87	J/mol×K	838.44	Calculated Property
Cp,gas	1020.14	J/mol×K	919.22	Calculated Property
Cp,gas	1048.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000659; 0.0000125]	Pa×s	[627.89; 861.91]	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			-1.57535e+01
Coefficient B			3.84626e+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.			627.89
Temperature range, max.			861.91
η	0.0000659	Pa×s	627.89	Calculated Property
η	0.0000516	Pa×s	653.89	Calculated Property
η	0.0000412	Pa×s	679.89	Calculated Property
η	0.0000335	Pa×s	705.90	Calculated Property
η	0.0000276	Pa×s	731.90	Calculated Property
η	0.0000230	Pa×s	757.90	Calculated Property
η	0.0000195	Pa×s	783.90	Calculated Property
η	0.0000166	Pa×s	809.91	Calculated Property
η	0.0000143	Pa×s	835.91	Calculated Property
η	0.0000125	Pa×s	861.91	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(2,6-dimethoxyphenyl) 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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