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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1048.98; 1078.46]	J/mol×K	[1002.01; 1231.30]
Cp,gas	1048.98	J/mol×K	1002.01	Joback Calculated Property
Cp,gas	1059.05	J/mol×K	1040.23	Joback Calculated Property
Cp,gas	1067.05	J/mol×K	1078.44	Joback Calculated Property
Cp,gas	1072.96	J/mol×K	1116.66	Joback Calculated Property
Cp,gas	1076.77	J/mol×K	1154.87	Joback Calculated Property
Cp,gas	1078.46	J/mol×K	1193.09	Joback Calculated Property
Cp,gas	1078.02	J/mol×K	1231.30	Joback Calculated Property
η	[0.0000067; 0.0000659]	Pa×s	[627.89; 1002.01]
η	0.0000659	Pa×s	627.89	Joback Calculated Property
η	0.0000379	Pa×s	690.24	Joback Calculated Property
η	0.0000239	Pa×s	752.60	Joback Calculated Property
η	0.0000161	Pa×s	814.95	Joback Calculated Property
η	0.0000115	Pa×s	877.30	Joback Calculated Property
η	0.0000086	Pa×s	939.66	Joback Calculated Property
η	0.0000067	Pa×s	1002.01	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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