Chemical Properties of Diethylmalonic acid, 2-acethylphenyl propyl ester

InChI

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

InChI Key

NZENJVLTHZNWNI-UHFFFAOYSA-N

Formula

C18H24O5

SMILES

CCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)=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).
• P_c : Critical Pressure (kPa).
• 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°	38.95	kJ/mol	Joback Calculated Property
log10WS	-3.57		Relay (1.0) Calculated Property
logPoct/wat	3.554		Crippen Calculated Property
McVol	257.170	ml/mol	McGowan Calculated Property
Pc	1552.45	kPa	Joback Calculated Property
Inp	[2111.00; 2111.00]
Inp	2111.00		NIST
Inp	2111.00		NIST
Tboil	611.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[364.76; 833.10]	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			6.24000e-01
Coefficient B			1.56368e+00
Coefficient C			-8.83460e-04
Coefficient D			1.52260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.76	J/mol×K	273.00	Calculated Property
Cp,gas	449.99	J/mol×K	353.78	Calculated Property
Cp,gas	525.79	J/mol×K	434.56	Calculated Property
Cp,gas	592.66	J/mol×K	515.33	Calculated Property
Cp,gas	651.07	J/mol×K	596.11	Calculated Property
Cp,gas	701.50	J/mol×K	676.89	Calculated Property
Cp,gas	744.44	J/mol×K	757.67	Calculated Property
Cp,gas	780.36	J/mol×K	838.44	Calculated Property
Cp,gas	809.76	J/mol×K	919.22	Calculated Property
Cp,gas	833.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008090; 0.0000746]	Pa×s	[468.57; 713.51]	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			-1.40635e+01
Coefficient B			3.25365e+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.			468.57
Temperature range, max.			713.51
η	0.0008090	Pa×s	468.57	Calculated Property
η	0.0005526	Pa×s	495.79	Calculated Property
η	0.0003927	Pa×s	523.00	Calculated Property
η	0.0002887	Pa×s	550.22	Calculated Property
η	0.0002185	Pa×s	577.43	Calculated Property
η	0.0001695	Pa×s	604.65	Calculated Property
η	0.0001345	Pa×s	631.86	Calculated Property
η	0.0001087	Pa×s	659.08	Calculated Property
η	0.0000894	Pa×s	686.29	Calculated Property
η	0.0000746	Pa×s	713.51	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-acethylphenyl propyl ester.

Sources

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

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