Chemical Properties of 4-(1,1-Dimethylhexyl)phenyl 2,4-dichlorobenzoate

InChI

InChI=1S/C21H24Cl2O2/c1-4-5-6-13-21(2,3)15-7-10-17(11-8-15)25-20(24)18-12-9-16(22)14-19(18)23/h7-12,14H,4-6,13H2,1-3H3

InChI Key

ZKGUILLUXMCPJA-UHFFFAOYSA-N

Formula

C21H24Cl2O2

SMILES

CCCCCC(C)(C)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1

Molecular Weight¹

379.33

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[385.80; 882.68]	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			-1.43960e+01
Coefficient B			1.74716e+00
Coefficient C			-1.09788e-03
Coefficient D			2.47800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	385.80	J/mol×K	273.00	Calculated Property
Cp,gas	477.27	J/mol×K	353.78	Calculated Property
Cp,gas	557.85	J/mol×K	434.56	Calculated Property
Cp,gas	628.32	J/mol×K	515.33	Calculated Property
Cp,gas	689.47	J/mol×K	596.11	Calculated Property
Cp,gas	742.06	J/mol×K	676.89	Calculated Property
Cp,gas	786.90	J/mol×K	757.67	Calculated Property
Cp,gas	824.76	J/mol×K	838.44	Calculated Property
Cp,gas	856.43	J/mol×K	919.22	Calculated Property
Cp,gas	882.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004219; 0.0000570]	Pa×s	[521.42; 776.96]	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			-1.38576e+01
Coefficient B			3.17376e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			521.42
Temperature range, max.			776.96
η	0.0004219	Pa×s	521.42	Calculated Property
η	0.0003081	Pa×s	549.81	Calculated Property
η	0.0002320	Pa×s	578.21	Calculated Property
η	0.0001795	Pa×s	606.60	Calculated Property
η	0.0001420	Pa×s	634.99	Calculated Property
η	0.0001147	Pa×s	663.39	Calculated Property
η	0.0000942	Pa×s	691.78	Calculated Property
η	0.0000786	Pa×s	720.17	Calculated Property
η	0.0000665	Pa×s	748.57	Calculated Property
η	0.0000570	Pa×s	776.96	Calculated Property

Similar Compounds

Find more compounds similar to 4-(1,1-Dimethylhexyl)phenyl 2,4-dichlorobenzoate.

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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