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

InChI

InChI=1S/C28H38Cl2O4/c1-4-7-8-9-10-11-12-13-16-19-33-26(31)28(5-2,6-3)27(32)34-25-22-18-15-14-17-21(22)23(29)20-24(25)30/h14-15,17-18,20H,4-13,16,19H2,1-3H3

InChI Key

ODTJGKPISYMQJS-UHFFFAOYSA-N

Formula

C28H38Cl2O4

SMILES

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

Molecular Weight¹

509.50

• 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°	67.89	kJ/mol	Joback Calculated Property
log10WS	-8.31		Relay (1.0) Calculated Property
logPoct/wat	8.932		Crippen Calculated Property
McVol	401.520	ml/mol	McGowan Calculated Property
Pc	854.96	kPa	Joback Calculated Property
Inp	[3474.00; 3474.00]
Inp	3474.00		NIST
Inp	3474.00		NIST
Tboil	716.21	K	Relay (1.0) Calculated Property
Tfus	349.47	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	[566.89; 1279.67]	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			7.11200e+00
Coefficient B			2.43256e+00
Coefficient C			-1.48960e-03
Coefficient D			3.29600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	566.89	J/mol×K	273.00	Calculated Property
Cp,gas	695.86	J/mol×K	353.78	Calculated Property
Cp,gas	809.95	J/mol×K	434.56	Calculated Property
Cp,gas	910.21	J/mol×K	515.33	Calculated Property
Cp,gas	997.68	J/mol×K	596.11	Calculated Property
Cp,gas	1073.40	J/mol×K	676.89	Calculated Property
Cp,gas	1138.42	J/mol×K	757.67	Calculated Property
Cp,gas	1193.78	J/mol×K	838.44	Calculated Property
Cp,gas	1240.51	J/mol×K	919.22	Calculated Property
Cp,gas	1279.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001634; 0.0000262]	Pa×s	[648.92; 933.80]	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			-1.47165e+01
Coefficient B			3.89162e+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.			648.92
Temperature range, max.			933.80
η	0.0001634	Pa×s	648.92	Calculated Property
η	0.0001236	Pa×s	680.57	Calculated Property
η	0.0000959	Pa×s	712.23	Calculated Property
η	0.0000760	Pa×s	743.88	Calculated Property
η	0.0000614	Pa×s	775.53	Calculated Property
η	0.0000504	Pa×s	807.18	Calculated Property
η	0.0000420	Pa×s	838.84	Calculated Property
η	0.0000355	Pa×s	870.49	Calculated Property
η	0.0000303	Pa×s	902.14	Calculated Property
η	0.0000262	Pa×s	933.80	Calculated Property

Similar Compounds

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

Sources

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

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