Chemical Properties of Diethylmalonic acid, ethyl 3-methylphenyl ester

InChI

InChI=1S/C16H22O4/c1-5-16(6-2,14(17)19-7-3)15(18)20-13-10-8-9-12(4)11-13/h8-11H,5-7H2,1-4H3

InChI Key

SKQRUZVEBJNFBT-UHFFFAOYSA-N

Formula

C16H22O4

SMILES

CCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C)c1

Molecular Weight¹

278.34

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.17	kJ/mol	Joback Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-3.79		Relay (1.0) Calculated Property
logPoct/wat	3.270		Crippen Calculated Property
McVol	227.420	ml/mol	McGowan Calculated Property
Inp	[1786.00; 1786.00]
Inp	1786.00		NIST
Inp	1786.00		NIST
Tboil	587.49	K	Relay (1.0) Calculated Property
Tfus	306.18	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 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	[639.82; 719.36]	J/mol×K	[710.55; 917.15]
Cp,gas	639.82	J/mol×K	710.55	Joback Calculated Property
Cp,gas	655.85	J/mol×K	744.98	Joback Calculated Property
Cp,gas	670.72	J/mol×K	779.42	Joback Calculated Property
Cp,gas	684.48	J/mol×K	813.85	Joback Calculated Property
Cp,gas	697.15	J/mol×K	848.28	Joback Calculated Property
Cp,gas	708.76	J/mol×K	882.71	Joback Calculated Property
Cp,gas	719.36	J/mol×K	917.15	Joback Calculated Property
η	[0.0000620; 0.0014475]	Pa×s	[396.10; 710.55]
η	0.0014475	Pa×s	396.10	Joback Calculated Property
η	0.0006302	Pa×s	448.51	Joback Calculated Property
η	0.0003265	Pa×s	500.92	Joback Calculated Property
η	0.0001916	Pa×s	553.33	Joback Calculated Property
η	0.0001233	Pa×s	605.73	Joback Calculated Property
η	0.0000851	Pa×s	658.14	Joback Calculated Property
η	0.0000620	Pa×s	710.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, ethyl 3-methylphenyl 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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