Chemical Properties of Diethylmalonic acid, 2,3-dimethylphenyl ethyl ester

InChI

InChI=1S/C17H24O4/c1-6-17(7-2,15(18)20-8-3)16(19)21-14-11-9-10-12(4)13(14)5/h9-11H,6-8H2,1-5H3

InChI Key

RPVCZBYIZAUANX-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

CCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C)c1C

Molecular Weight¹

292.37

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.37	kJ/mol	Joback Calculated Property
logPoct/wat	3.578		Crippen Calculated Property
McVol	241.510	ml/mol	McGowan Calculated Property
Inp	[1941.00; 1941.00]
Inp	1941.00		NIST
Inp	1941.00		NIST
Tboil	591.72	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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[345.18; 789.45]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.47300e+00
Coefficient B			1.43720e+00
Coefficient C			-7.80720e-04
Coefficient D			1.24500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	345.18	J/mol×K	273.00	Calculated Property
Cp,gas	424.72	J/mol×K	353.78	Calculated Property
Cp,gas	495.80	J/mol×K	434.56	Calculated Property
Cp,gas	558.81	J/mol×K	515.33	Calculated Property
Cp,gas	614.15	J/mol×K	596.11	Calculated Property
Cp,gas	662.20	J/mol×K	676.89	Calculated Property
Cp,gas	703.36	J/mol×K	757.67	Calculated Property
Cp,gas	738.03	J/mol×K	838.44	Calculated Property
Cp,gas	766.60	J/mol×K	919.22	Calculated Property
Cp,gas	789.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010130; 0.0000846]	Pa×s	[419.89; 660.46]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.37110e+01
Coefficient B			2.86204e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			419.89
Temperature range, max.			660.46
η	0.0010130	Pa×s	419.89	Calculated Property
η	0.0006737	Pa×s	446.62	Calculated Property
η	0.0004691	Pa×s	473.35	Calculated Property
η	0.0003396	Pa×s	500.08	Calculated Property
η	0.0002540	Pa×s	526.81	Calculated Property
η	0.0001954	Pa×s	553.54	Calculated Property
η	0.0001540	Pa×s	580.27	Calculated Property
η	0.0001239	Pa×s	607.00	Calculated Property
η	0.0001016	Pa×s	633.73	Calculated Property
η	0.0000846	Pa×s	660.46	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,3-dimethylphenyl ethyl 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

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