Chemical Properties of Diethylmalonic acid, butyl 2-formylphenyl ester

InChI

InChI=1S/C18H24O5/c1-4-7-12-22-16(20)18(5-2,6-3)17(21)23-15-11-9-8-10-14(15)13-19/h8-11,13H,4-7,12H2,1-3H3

InChI Key

AKVNWXXKNSODFJ-UHFFFAOYSA-N

Formula

C18H24O5

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C=O

Molecular Weight¹

320.38

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 Standard Gibbs free energy of formation, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.75; 834.86]	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			4.66500e+00
Coefficient B			1.56616e+00
Coefficient C			-8.95160e-04
Coefficient D			1.59200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	368.75	J/mol×K	273.00	Calculated Property
Cp,gas	453.75	J/mol×K	353.78	Calculated Property
Cp,gas	529.27	J/mol×K	434.56	Calculated Property
Cp,gas	595.82	J/mol×K	515.33	Calculated Property
Cp,gas	653.90	J/mol×K	596.11	Calculated Property
Cp,gas	704.01	J/mol×K	676.89	Calculated Property
Cp,gas	746.66	J/mol×K	757.67	Calculated Property
Cp,gas	782.35	J/mol×K	838.44	Calculated Property
Cp,gas	811.58	J/mol×K	919.22	Calculated Property
Cp,gas	834.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009496; 0.0000840]	Pa×s	[460.64; 707.70]	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			-1.39065e+01
Coefficient B			3.20009e+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.			460.64
Temperature range, max.			707.70
η	0.0009496	Pa×s	460.64	Calculated Property
η	0.0006425	Pa×s	488.09	Calculated Property
η	0.0004532	Pa×s	515.54	Calculated Property
η	0.0003311	Pa×s	542.99	Calculated Property
η	0.0002494	Pa×s	570.44	Calculated Property
η	0.0001927	Pa×s	597.89	Calculated Property
η	0.0001524	Pa×s	625.35	Calculated Property
η	0.0001229	Pa×s	652.80	Calculated Property
η	0.0001008	Pa×s	680.25	Calculated Property
η	0.0000840	Pa×s	707.70	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 2-formylphenyl ester.

Sources

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

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