Chemical Properties of Diethylmalonic acid, 2,3-dichlorophenyl nonyl ester

InChI

InChI=1S/C22H32Cl2O4/c1-4-7-8-9-10-11-12-16-27-20(25)22(5-2,6-3)21(26)28-18-15-13-14-17(23)19(18)24/h13-15H,4-12,16H2,1-3H3

InChI Key

BLTILWPQVYPUCO-UHFFFAOYSA-N

Formula

C22H32Cl2O4

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

431.39

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	55.72	kJ/mol	Joback Calculated Property
log10WS	-6.93		Relay (1.0) Calculated Property
logPoct/wat	6.999		Crippen Calculated Property
McVol	336.440	ml/mol	McGowan Calculated Property
Pc	1058.26	kPa	Joback Calculated Property
Inp	[2713.00; 2713.00]
Inp	2713.00		NIST
Inp	2713.00		NIST
Tboil	651.79	K	Relay (1.0) Calculated Property
Tfus	310.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[478.05; 1063.95]	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			2.97100e+01
Coefficient B			1.92576e+00
Coefficient C			-1.09352e-03
Coefficient D			2.02000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	478.05	J/mol×K	273.00	Calculated Property
Cp,gas	583.08	J/mol×K	353.78	Calculated Property
Cp,gas	676.64	J/mol×K	434.56	Calculated Property
Cp,gas	759.36	J/mol×K	515.33	Calculated Property
Cp,gas	831.89	J/mol×K	596.11	Calculated Property
Cp,gas	894.86	J/mol×K	676.89	Calculated Property
Cp,gas	948.91	J/mol×K	757.67	Calculated Property
Cp,gas	994.68	J/mol×K	838.44	Calculated Property
Cp,gas	1032.82	J/mol×K	919.22	Calculated Property
Cp,gas	1063.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003195; 0.0000336]	Pa×s	[536.08; 798.51]	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			-1.49050e+01
Coefficient B			3.67548e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			536.08
Temperature range, max.			798.51
η	0.0003195	Pa×s	536.08	Calculated Property
η	0.0002243	Pa×s	565.24	Calculated Property
η	0.0001631	Pa×s	594.40	Calculated Property
η	0.0001221	Pa×s	623.56	Calculated Property
η	0.0000938	Pa×s	652.71	Calculated Property
η	0.0000738	Pa×s	681.87	Calculated Property
η	0.0000591	Pa×s	711.03	Calculated Property
η	0.0000482	Pa×s	740.19	Calculated Property
η	0.0000400	Pa×s	769.35	Calculated Property
η	0.0000336	Pa×s	798.51	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,3-dichlorophenyl nonyl ester.

Sources

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

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