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

InChI

InChI=1S/C21H20O6/c1-3-21(4-2,19(24)26-17-11-7-5-9-15(17)13-22)20(25)27-18-12-8-6-10-16(18)14-23/h5-14H,3-4H2,1-2H3

InChI Key

RRAMFOAYFMRLNN-UHFFFAOYSA-N

Formula

C21H20O6

SMILES

CCC(CC)(C(=O)Oc1ccccc1C=O)C(=O)Oc1ccccc1C=O

Molecular Weight¹

368.38

• 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).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.19	kJ/mol	Joback Calculated Property
logPoct/wat	3.629		Crippen Calculated Property
McVol	277.250	ml/mol	McGowan Calculated Property
Inp	[2800.00; 2800.00]
Inp	2800.00		NIST
Inp	2800.00		NIST
Tboil	663.38	K	Relay (1.0) Calculated Property
Tfus	364.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[854.96; 898.75]	J/mol×K	[989.87; 1227.39]
Cp,gas	854.96	J/mol×K	989.87	Joback Calculated Property
Cp,gas	865.09	J/mol×K	1029.46	Joback Calculated Property
Cp,gas	873.99	J/mol×K	1069.04	Joback Calculated Property
Cp,gas	881.75	J/mol×K	1108.63	Joback Calculated Property
Cp,gas	888.41	J/mol×K	1148.22	Joback Calculated Property
Cp,gas	894.06	J/mol×K	1187.80	Joback Calculated Property
Cp,gas	898.75	J/mol×K	1227.39	Joback Calculated Property
η	[0.0000438; 0.0003367]	Pa×s	[635.05; 989.87]
η	0.0003367	Pa×s	635.05	Joback Calculated Property
η	0.0002074	Pa×s	694.19	Joback Calculated Property
η	0.0001378	Pa×s	753.32	Joback Calculated Property
η	0.0000972	Pa×s	812.46	Joback Calculated Property
η	0.0000719	Pa×s	871.60	Joback Calculated Property
η	0.0000552	Pa×s	930.73	Joback Calculated Property
η	0.0000438	Pa×s	989.87	Joback Calculated Property

Similar Compounds

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