Chemical Properties of Diethylmalonic acid, 2-formylphenyl isobutyl ester

InChI

InChI=1S/C18H24O5/c1-5-18(6-2,16(20)22-12-13(3)4)17(21)23-15-10-8-7-9-14(15)11-19/h7-11,13H,5-6,12H2,1-4H3

InChI Key

PFLOSFYWGHNDIQ-UHFFFAOYSA-N

Formula

C18H24O5

SMILES

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

Molecular Weight¹

320.38

• 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).
• 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°	36.12	kJ/mol	Joback Calculated Property
log10WS	-3.73		Relay (1.0) Calculated Property
logPoct/wat	3.410		Crippen Calculated Property
McVol	257.170	ml/mol	McGowan Calculated Property
Inp	[2116.00; 2116.00]
Inp	2116.00		NIST
Inp	2116.00		NIST
Tboil	615.58	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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[768.93; 838.64]	J/mol×K	[804.53; 1013.18]
Cp,gas	768.93	J/mol×K	804.53	Joback Calculated Property
Cp,gas	783.43	J/mol×K	839.30	Joback Calculated Property
Cp,gas	796.73	J/mol×K	874.08	Joback Calculated Property
Cp,gas	808.86	J/mol×K	908.85	Joback Calculated Property
Cp,gas	819.86	J/mol×K	943.63	Joback Calculated Property
Cp,gas	829.77	J/mol×K	978.40	Joback Calculated Property
Cp,gas	838.64	J/mol×K	1013.18	Joback Calculated Property
η	[0.0000447; 0.0011423]	Pa×s	[445.64; 804.53]
η	0.0011423	Pa×s	445.64	Joback Calculated Property
η	0.0004835	Pa×s	505.46	Joback Calculated Property
η	0.0002455	Pa×s	565.27	Joback Calculated Property
η	0.0001419	Pa×s	625.09	Joback Calculated Property
η	0.0000903	Pa×s	684.90	Joback Calculated Property
η	0.0000617	Pa×s	744.71	Joback Calculated Property
η	0.0000447	Pa×s	804.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-formylphenyl isobutyl 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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