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

InChI

InChI=1S/C24H30Cl2O4/c1-4-7-8-9-12-15-29-22(27)24(5-2,6-3)23(28)30-21-18-14-11-10-13-17(18)19(25)16-20(21)26/h10-11,13-14,16H,4-9,12,15H2,1-3H3

InChI Key

BSMWTQKPDPVFPU-UHFFFAOYSA-N

Formula

C24H30Cl2O4

SMILES

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

Molecular Weight¹

453.40

• 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°	57.53	kJ/mol	Joback Calculated Property
log10WS	-7.15		Relay (1.0) Calculated Property
logPoct/wat	7.372		Crippen Calculated Property
McVol	345.160	ml/mol	McGowan Calculated Property
Pc	1084.92	kPa	Joback Calculated Property
Inp	[3080.00; 3080.00]
Inp	3080.00		NIST
Inp	3080.00		NIST
Tboil	688.11	K	Relay (1.0) Calculated Property
Tfus	349.24	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	[482.03; 1073.31]	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			1.07480e+01
Coefficient B			2.05256e+00
Coefficient C			-1.27200e-03
Coefficient D			2.82000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	482.03	J/mol×K	273.00	Calculated Property
Cp,gas	590.18	J/mol×K	353.78	Calculated Property
Cp,gas	685.64	J/mol×K	434.56	Calculated Property
Cp,gas	769.29	J/mol×K	515.33	Calculated Property
Cp,gas	842.03	J/mol×K	596.11	Calculated Property
Cp,gas	904.76	J/mol×K	676.89	Calculated Property
Cp,gas	958.36	J/mol×K	757.67	Calculated Property
Cp,gas	1003.72	J/mol×K	838.44	Calculated Property
Cp,gas	1041.74	J/mol×K	919.22	Calculated Property
Cp,gas	1073.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002702; 0.0000483]	Pa×s	[603.84; 857.66]	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			-1.40372e+01
Coefficient B			3.51498e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			603.84
Temperature range, max.			857.66
η	0.0002702	Pa×s	603.84	Calculated Property
η	0.0002084	Pa×s	632.04	Calculated Property
η	0.0001644	Pa×s	660.25	Calculated Property
η	0.0001322	Pa×s	688.45	Calculated Property
η	0.0001081	Pa×s	716.65	Calculated Property
η	0.0000898	Pa×s	744.85	Calculated Property
η	0.0000756	Pa×s	773.06	Calculated Property
η	0.0000644	Pa×s	801.26	Calculated Property
η	0.0000555	Pa×s	829.46	Calculated Property
η	0.0000483	Pa×s	857.66	Calculated Property

Similar Compounds

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

Sources

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

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