Chemical Properties of Diethylmalonic acid, 2,4-dichloronaphth-1-yl nonyl ester

InChI

InChI=1S/C26H34Cl2O4/c1-4-7-8-9-10-11-14-17-31-24(29)26(5-2,6-3)25(30)32-23-20-16-13-12-15-19(20)21(27)18-22(23)28/h12-13,15-16,18H,4-11,14,17H2,1-3H3

InChI Key

UXHJMDWVBMGHFP-UHFFFAOYSA-N

Formula

C26H34Cl2O4

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)c2ccccc12

Molecular Weight¹

481.46

• 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°	62.71	kJ/mol	Joback Calculated Property
log10WS	-7.75		Relay (1.0) Calculated Property
logPoct/wat	8.152		Crippen Calculated Property
McVol	373.340	ml/mol	McGowan Calculated Property
Pc	959.69	kPa	Joback Calculated Property
Inp	[3267.00; 3267.00]
Inp	3267.00		NIST
Inp	3267.00		NIST
Tboil	702.21	K	Relay (1.0) Calculated Property
Tfus	349.63	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	[524.46; 1176.49]	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			8.93000e+00
Coefficient B			2.24256e+00
Coefficient C			-1.38080e-03
Coefficient D			3.05800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	524.46	J/mol×K	273.00	Calculated Property
Cp,gas	643.02	J/mol×K	353.78	Calculated Property
Cp,gas	747.79	J/mol×K	434.56	Calculated Property
Cp,gas	839.75	J/mol×K	515.33	Calculated Property
Cp,gas	919.86	J/mol×K	596.11	Calculated Property
Cp,gas	989.08	J/mol×K	676.89	Calculated Property
Cp,gas	1048.39	J/mol×K	757.67	Calculated Property
Cp,gas	1098.75	J/mol×K	838.44	Calculated Property
Cp,gas	1141.13	J/mol×K	919.22	Calculated Property
Cp,gas	1176.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002111; 0.0000359]	Pa×s	[626.38; 894.22]	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			-1.43752e+01
Coefficient B			3.70330e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			626.38
Temperature range, max.			894.22
η	0.0002111	Pa×s	626.38	Calculated Property
η	0.0001615	Pa×s	656.14	Calculated Property
η	0.0001264	Pa×s	685.90	Calculated Property
η	0.0001010	Pa×s	715.66	Calculated Property
η	0.0000821	Pa×s	745.42	Calculated Property
η	0.0000679	Pa×s	775.18	Calculated Property
η	0.0000569	Pa×s	804.94	Calculated Property
η	0.0000483	Pa×s	834.70	Calculated Property
η	0.0000414	Pa×s	864.46	Calculated Property
η	0.0000359	Pa×s	894.22	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichloronaphth-1-yl nonyl ester.

Sources

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

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