Chemical Properties of Dimethylmalonic acid, 2,5-dichlorophenyl tetradecyl ester

InChI

InChI=1S/C25H38Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-30-23(28)25(2,3)24(29)31-22-19-20(26)16-17-21(22)27/h16-17,19H,4-15,18H2,1-3H3

InChI Key

YSRIVQFFDQTHLK-UHFFFAOYSA-N

Formula

C25H38Cl2O4

SMILES

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

Molecular Weight¹

473.47

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	63.49	kJ/mol	Joback Calculated Property
logPoct/wat	8.169		Crippen Calculated Property
McVol	378.710	ml/mol	McGowan Calculated Property
Inp	[3007.00; 3007.00]
Inp	3007.00		NIST
Inp	3007.00		NIST
Tboil	661.28	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[541.69; 1218.72]	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			2.69830e+01
Coefficient B			2.21076e+00
Coefficient C			-1.25672e-03
Coefficient D			2.37700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	541.69	J/mol×K	273.00	Calculated Property
Cp,gas	662.34	J/mol×K	353.78	Calculated Property
Cp,gas	769.87	J/mol×K	434.56	Calculated Property
Cp,gas	865.05	J/mol×K	515.33	Calculated Property
Cp,gas	948.62	J/mol×K	596.11	Calculated Property
Cp,gas	1021.34	J/mol×K	676.89	Calculated Property
Cp,gas	1083.96	J/mol×K	757.67	Calculated Property
Cp,gas	1137.23	J/mol×K	838.44	Calculated Property
Cp,gas	1181.90	J/mol×K	919.22	Calculated Property
Cp,gas	1218.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002110; 0.0000209]	Pa×s	[569.89; 853.84]	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			-1.54089e+01
Coefficient B			3.95796e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			569.89
Temperature range, max.			853.84
η	0.0002110	Pa×s	569.89	Calculated Property
η	0.0001466	Pa×s	601.44	Calculated Property
η	0.0001056	Pa×s	632.99	Calculated Property
η	0.0000785	Pa×s	664.54	Calculated Property
η	0.0000599	Pa×s	696.09	Calculated Property
η	0.0000468	Pa×s	727.64	Calculated Property
η	0.0000373	Pa×s	759.19	Calculated Property
η	0.0000303	Pa×s	790.74	Calculated Property
η	0.0000250	Pa×s	822.29	Calculated Property
η	0.0000209	Pa×s	853.84	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2,5-dichlorophenyl 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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