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

InChI

InChI=1S/C28H45ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-32-26(30)28(6-2,7-3)27(31)33-25-22-23(4)19-20-24(25)29/h19-20,22H,5-18,21H2,1-4H3

InChI Key

LVCZQCJVEWODPZ-UHFFFAOYSA-N

Formula

C28H45ClO4

SMILES

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

Molecular Weight¹

481.11

• 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°	67.06	kJ/mol	Joback Calculated Property
logPoct/wat	8.605		Crippen Calculated Property
McVol	408.740	ml/mol	McGowan Calculated Property
Inp	[3148.00; 3148.00]
Inp	3148.00		NIST
Inp	3148.00		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	[591.93; 1365.23]	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			1.13650e+01
Coefficient B			2.48898e+00
Coefficient C			-1.39952e-03
Coefficient D			2.64400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	591.93	J/mol×K	273.00	Calculated Property
Cp,gas	728.46	J/mol×K	353.78	Calculated Property
Cp,gas	850.38	J/mol×K	434.56	Calculated Property
Cp,gas	958.54	J/mol×K	515.33	Calculated Property
Cp,gas	1053.76	J/mol×K	596.11	Calculated Property
Cp,gas	1136.90	J/mol×K	676.89	Calculated Property
Cp,gas	1208.77	J/mol×K	757.67	Calculated Property
Cp,gas	1270.23	J/mol×K	838.44	Calculated Property
Cp,gas	1322.10	J/mol×K	919.22	Calculated Property
Cp,gas	1365.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001834; 0.0000154]	Pa×s	[573.78; 882.17]	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			-1.56959e+01
Coefficient B			4.06912e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			573.78
Temperature range, max.			882.17
η	0.0001834	Pa×s	573.78	Calculated Property
η	0.0001229	Pa×s	608.05	Calculated Property
η	0.0000860	Pa×s	642.31	Calculated Property
η	0.0000624	Pa×s	676.58	Calculated Property
η	0.0000467	Pa×s	710.84	Calculated Property
η	0.0000359	Pa×s	745.11	Calculated Property
η	0.0000282	Pa×s	779.37	Calculated Property
η	0.0000227	Pa×s	813.64	Calculated Property
η	0.0000185	Pa×s	847.90	Calculated Property
η	0.0000154	Pa×s	882.17	Calculated Property

Similar Compounds

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