Chemical Properties of Diethylmalonic acid, 3-methylbenzyl propyl ester

InChI

InChI=1S/C18H26O4/c1-5-11-21-16(19)18(6-2,7-3)17(20)22-13-15-10-8-9-14(4)12-15/h8-10,12H,5-7,11,13H2,1-4H3

InChI Key

LFTODDGBJXXCTJ-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(C)c1

Molecular Weight¹

306.40

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[363.84; 844.08]	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			-6.73500e+00
Coefficient B			1.59168e+00
Coefficient C			-9.02160e-04
Coefficient D			1.61300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.84	J/mol×K	273.00	Calculated Property
Cp,gas	450.59	J/mol×K	353.78	Calculated Property
Cp,gas	527.81	J/mol×K	434.56	Calculated Property
Cp,gas	596.00	J/mol×K	515.33	Calculated Property
Cp,gas	655.67	J/mol×K	596.11	Calculated Property
Cp,gas	707.33	J/mol×K	676.89	Calculated Property
Cp,gas	751.49	J/mol×K	757.67	Calculated Property
Cp,gas	788.66	J/mol×K	838.44	Calculated Property
Cp,gas	819.36	J/mol×K	919.22	Calculated Property
Cp,gas	844.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011440; 0.0000767]	Pa×s	[418.64; 671.15]	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			-1.39571e+01
Coefficient B			3.00746e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			418.64
Temperature range, max.			671.15
η	0.0011440	Pa×s	418.64	Calculated Property
η	0.0007286	Pa×s	446.70	Calculated Property
η	0.0004894	Pa×s	474.75	Calculated Property
η	0.0003437	Pa×s	502.81	Calculated Property
η	0.0002505	Pa×s	530.87	Calculated Property
η	0.0001885	Pa×s	558.93	Calculated Property
η	0.0001458	Pa×s	586.98	Calculated Property
η	0.0001154	Pa×s	615.04	Calculated Property
η	0.0000932	Pa×s	643.10	Calculated Property
η	0.0000767	Pa×s	671.15	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-methylbenzyl propyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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