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

InChI

InChI=1S/C29H47ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-33-27(31)29(6-2,7-3)28(32)34-26-23-24(4)20-21-25(26)30/h20-21,23H,5-19,22H2,1-4H3

InChI Key

MOUJJJIKRXIHPS-UHFFFAOYSA-N

Formula

C29H47ClO4

SMILES

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

Molecular Weight¹

495.13

• 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°	69.65	kJ/mol	Joback Calculated Property
logPoct/wat	8.995		Crippen Calculated Property
McVol	422.830	ml/mol	McGowan Calculated Property
Inp	[3247.00; 3247.00]
Inp	3247.00		NIST
Inp	3247.00		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	[613.15; 1416.82]	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			1.04560e+01
Coefficient B			2.58398e+00
Coefficient C			-1.45392e-03
Coefficient D			2.76300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	613.15	J/mol×K	273.00	Calculated Property
Cp,gas	754.87	J/mol×K	353.78	Calculated Property
Cp,gas	881.46	J/mol×K	434.56	Calculated Property
Cp,gas	993.77	J/mol×K	515.33	Calculated Property
Cp,gas	1092.67	J/mol×K	596.11	Calculated Property
Cp,gas	1179.06	J/mol×K	676.89	Calculated Property
Cp,gas	1253.79	J/mol×K	757.67	Calculated Property
Cp,gas	1317.75	J/mol×K	838.44	Calculated Property
Cp,gas	1371.80	J/mol×K	919.22	Calculated Property
Cp,gas	1416.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001585; 0.0000129]	Pa×s	[585.05; 903.81]	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			-1.58662e+01
Coefficient B			4.16328e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			585.05
Temperature range, max.			903.81
η	0.0001585	Pa×s	585.05	Calculated Property
η	0.0001056	Pa×s	620.47	Calculated Property
η	0.0000735	Pa×s	655.89	Calculated Property
η	0.0000531	Pa×s	691.30	Calculated Property
η	0.0000396	Pa×s	726.72	Calculated Property
η	0.0000303	Pa×s	762.14	Calculated Property
η	0.0000238	Pa×s	797.56	Calculated Property
η	0.0000191	Pa×s	832.97	Calculated Property
η	0.0000155	Pa×s	868.39	Calculated Property
η	0.0000129	Pa×s	903.81	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chloro-5-methylphenyl pentadecyl 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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