Chemical Properties of Dimethylmalonic acid, pentadecyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C26H39Cl3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32-24(30)26(2,3)25(31)33-23-21(28)18-20(27)19-22(23)29/h18-19H,4-17H2,1-3H3

InChI Key

DLKNKPYNAPLIPH-UHFFFAOYSA-N

Formula

C26H39Cl3O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

521.95

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[578.86; 1275.54]	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			5.32640e+01
Coefficient B			2.25306e+00
Coefficient C			-1.26448e-03
Coefficient D			2.33700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	578.86	J/mol×K	273.00	Calculated Property
Cp,gas	702.43	J/mol×K	353.78	Calculated Property
Cp,gas	812.74	J/mol×K	434.56	Calculated Property
Cp,gas	910.52	J/mol×K	515.33	Calculated Property
Cp,gas	996.51	J/mol×K	596.11	Calculated Property
Cp,gas	1071.46	J/mol×K	676.89	Calculated Property
Cp,gas	1136.09	J/mol×K	757.67	Calculated Property
Cp,gas	1191.16	J/mol×K	838.44	Calculated Property
Cp,gas	1237.40	J/mol×K	919.22	Calculated Property
Cp,gas	1275.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001210; 0.0000147]	Pa×s	[623.60; 910.96]	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			-1.57104e+01
Coefficient B			4.17218e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			623.60
Temperature range, max.			910.96
η	0.0001210	Pa×s	623.60	Calculated Property
η	0.0000873	Pa×s	655.53	Calculated Property
η	0.0000650	Pa×s	687.46	Calculated Property
η	0.0000496	Pa×s	719.39	Calculated Property
η	0.0000388	Pa×s	751.31	Calculated Property
η	0.0000309	Pa×s	783.24	Calculated Property
η	0.0000251	Pa×s	815.17	Calculated Property
η	0.0000207	Pa×s	847.10	Calculated Property
η	0.0000173	Pa×s	879.03	Calculated Property
η	0.0000147	Pa×s	910.96	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, pentadecyl 2,4,6-trichlorophenyl 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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