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

InChI

InChI=1S/C26H41ClO4/c1-5-8-9-10-11-12-13-14-15-16-19-30-24(28)26(6-2,7-3)25(29)31-23-20-21(4)17-18-22(23)27/h17-18,20H,5-16,19H2,1-4H3

InChI Key

LPBPRHWFFBWBLY-UHFFFAOYSA-N

Formula

C26H41ClO4

SMILES

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

Molecular Weight¹

453.06

• 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°	61.88	kJ/mol	Joback Calculated Property
logPoct/wat	7.824		Crippen Calculated Property
McVol	380.560	ml/mol	McGowan Calculated Property
Inp	[2944.00; 2944.00]
Inp	2944.00		NIST
Inp	2944.00		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	[549.50; 1262.04]	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			1.31830e+01
Coefficient B			2.29898e+00
Coefficient C			-1.29072e-03
Coefficient D			2.40600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	549.50	J/mol×K	273.00	Calculated Property
Cp,gas	675.62	J/mol×K	353.78	Calculated Property
Cp,gas	788.22	J/mol×K	434.56	Calculated Property
Cp,gas	888.08	J/mol×K	515.33	Calculated Property
Cp,gas	975.94	J/mol×K	596.11	Calculated Property
Cp,gas	1052.58	J/mol×K	676.89	Calculated Property
Cp,gas	1118.74	J/mol×K	757.67	Calculated Property
Cp,gas	1175.20	J/mol×K	838.44	Calculated Property
Cp,gas	1222.72	J/mol×K	919.22	Calculated Property
Cp,gas	1262.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002441; 0.0000215]	Pa×s	[551.24; 841.37]	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			-1.53580e+01
Coefficient B			3.88080e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			551.24
Temperature range, max.			841.37
η	0.0002441	Pa×s	551.24	Calculated Property
η	0.0001655	Pa×s	583.48	Calculated Property
η	0.0001168	Pa×s	615.71	Calculated Property
η	0.0000854	Pa×s	647.95	Calculated Property
η	0.0000643	Pa×s	680.18	Calculated Property
η	0.0000496	Pa×s	712.42	Calculated Property
η	0.0000392	Pa×s	744.66	Calculated Property
η	0.0000316	Pa×s	776.89	Calculated Property
η	0.0000259	Pa×s	809.13	Calculated Property
η	0.0000215	Pa×s	841.37	Calculated Property

Similar Compounds

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