Chemical Properties of Diethylmalonic acid, 2-chloro-5-methylphenyl heptadecyl ester

InChI

InChI=1S/C31H51ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-35-29(33)31(6-2,7-3)30(34)36-28-25-26(4)22-23-27(28)32/h22-23,25H,5-21,24H2,1-4H3

InChI Key

UGLCSAZFEUGNLC-UHFFFAOYSA-N

Formula

C31H51ClO4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

523.19

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	74.83	kJ/mol	Joback Calculated Property
logPoct/wat	9.775		Crippen Calculated Property
McVol	451.010	ml/mol	McGowan Calculated Property
Inp	[3454.00; 3454.00]
Inp	3454.00		NIST
Inp	3454.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[655.57; 1520.00]	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			8.63800e+00
Coefficient B			2.77398e+00
Coefficient C			-1.56272e-03
Coefficient D			3.00100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	655.57	J/mol×K	273.00	Calculated Property
Cp,gas	807.71	J/mol×K	353.78	Calculated Property
Cp,gas	943.61	J/mol×K	434.56	Calculated Property
Cp,gas	1064.22	J/mol×K	515.33	Calculated Property
Cp,gas	1170.50	J/mol×K	596.11	Calculated Property
Cp,gas	1263.38	J/mol×K	676.89	Calculated Property
Cp,gas	1343.82	J/mol×K	757.67	Calculated Property
Cp,gas	1412.78	J/mol×K	838.44	Calculated Property
Cp,gas	1471.18	J/mol×K	919.22	Calculated Property
Cp,gas	1520.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001177; 0.0000089]	Pa×s	[607.59; 949.90]	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			-1.62090e+01
Coefficient B			4.35160e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			607.59
Temperature range, max.			949.90
η	0.0001177	Pa×s	607.59	Calculated Property
η	0.0000772	Pa×s	645.62	Calculated Property
η	0.0000531	Pa×s	683.66	Calculated Property
η	0.0000379	Pa×s	721.69	Calculated Property
η	0.0000281	Pa×s	759.73	Calculated Property
η	0.0000214	Pa×s	797.76	Calculated Property
η	0.0000167	Pa×s	835.80	Calculated Property
η	0.0000133	Pa×s	873.83	Calculated Property
η	0.0000108	Pa×s	911.87	Calculated Property
η	0.0000089	Pa×s	949.90	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chloro-5-methylphenyl heptadecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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