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

InChI

InChI=1S/C24H35Cl3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-30-22(28)24(2,3)23(29)31-21-19(26)16-18(25)17-20(21)27/h16-17H,4-15H2,1-3H3

InChI Key

UBDGSCKYGHBSRB-UHFFFAOYSA-N

Formula

C24H35Cl3O4

SMILES

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

Molecular Weight¹

493.89

• 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	[536.44; 1172.36]	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			5.50820e+01
Coefficient B			2.06306e+00
Coefficient C			-1.15568e-03
Coefficient D			2.09900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	536.44	J/mol×K	273.00	Calculated Property
Cp,gas	649.60	J/mol×K	353.78	Calculated Property
Cp,gas	750.58	J/mol×K	434.56	Calculated Property
Cp,gas	840.06	J/mol×K	515.33	Calculated Property
Cp,gas	918.69	J/mol×K	596.11	Calculated Property
Cp,gas	987.13	J/mol×K	676.89	Calculated Property
Cp,gas	1046.06	J/mol×K	757.67	Calculated Property
Cp,gas	1096.13	J/mol×K	838.44	Calculated Property
Cp,gas	1138.01	J/mol×K	919.22	Calculated Property
Cp,gas	1172.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001601; 0.0000206]	Pa×s	[601.06; 870.60]	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			-1.53677e+01
Coefficient B			3.98386e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			601.06
Temperature range, max.			870.60
η	0.0001601	Pa×s	601.06	Calculated Property
η	0.0001169	Pa×s	631.01	Calculated Property
η	0.0000878	Pa×s	660.96	Calculated Property
η	0.0000676	Pa×s	690.91	Calculated Property
η	0.0000532	Pa×s	720.86	Calculated Property
η	0.0000427	Pa×s	750.81	Calculated Property
η	0.0000348	Pa×s	780.75	Calculated Property
η	0.0000288	Pa×s	810.70	Calculated Property
η	0.0000242	Pa×s	840.65	Calculated Property
η	0.0000206	Pa×s	870.60	Calculated Property

Similar Compounds

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