Chemical Properties of Diethylmalonic acid, butyl 3-methoxyphenyl ester

InChI

InChI=1S/C18H26O5/c1-5-8-12-22-16(19)18(6-2,7-3)17(20)23-15-11-9-10-14(13-15)21-4/h9-11,13H,5-8,12H2,1-4H3

InChI Key

IAGDDNYENWZNOX-UHFFFAOYSA-N

Formula

C18H26O5

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(OC)c1

Molecular Weight¹

322.40

• 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).
• 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°	38.54	kJ/mol	Joback Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
logPoct/wat	3.750		Crippen Calculated Property
McVol	261.470	ml/mol	McGowan Calculated Property
Inp	[2146.00; 2146.00]
Inp	2146.00		NIST
Inp	2146.00		NIST
Tboil	620.19	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, 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	[779.56; 857.25]	J/mol×K	[778.73; 980.58]
Cp,gas	779.56	J/mol×K	778.73	Joback Calculated Property
Cp,gas	795.43	J/mol×K	812.37	Joback Calculated Property
Cp,gas	810.10	J/mol×K	846.01	Joback Calculated Property
Cp,gas	823.60	J/mol×K	879.65	Joback Calculated Property
Cp,gas	835.94	J/mol×K	913.29	Joback Calculated Property
Cp,gas	847.14	J/mol×K	946.93	Joback Calculated Property
Cp,gas	857.25	J/mol×K	980.58	Joback Calculated Property
η	[0.0000345; 0.0007514]	Pa×s	[440.87; 778.73]
η	0.0007514	Pa×s	440.87	Joback Calculated Property
η	0.0003363	Pa×s	497.18	Joback Calculated Property
η	0.0001772	Pa×s	553.49	Joback Calculated Property
η	0.0001052	Pa×s	609.80	Joback Calculated Property
η	0.0000681	Pa×s	666.11	Joback Calculated Property
η	0.0000472	Pa×s	722.42	Joback Calculated Property
η	0.0000345	Pa×s	778.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 3-methoxyphenyl 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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