Chemical Properties of 1,2,4-Trichloro-5-(hexadecyloxy)benzene

InChI

InChI=1S/C22H35Cl3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-22-18-20(24)19(23)17-21(22)25/h17-18H,2-16H2,1H3

InChI Key

PXCUADFVPXPWAP-UHFFFAOYSA-N

Formula

C22H35Cl3O

SMILES

CCCCCCCCCCCCCCCCOc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

421.88

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[478.20; 1069.99]	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			5.60550e+01
Coefficient B			1.79362e+00
Coefficient C			-9.53280e-04
Coefficient D			1.73600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	478.20	J/mol×K	273.00	Calculated Property
Cp,gas	578.97	J/mol×K	353.78	Calculated Property
Cp,gas	669.71	J/mol×K	434.56	Calculated Property
Cp,gas	750.96	J/mol×K	515.33	Calculated Property
Cp,gas	823.28	J/mol×K	596.11	Calculated Property
Cp,gas	887.20	J/mol×K	676.89	Calculated Property
Cp,gas	943.29	J/mol×K	757.67	Calculated Property
Cp,gas	992.08	J/mol×K	838.44	Calculated Property
Cp,gas	1034.14	J/mol×K	919.22	Calculated Property
Cp,gas	1069.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004080; 0.0000665]	Pa×s	[513.67; 757.23]	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			-1.34453e+01
Coefficient B			2.89765e+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.			513.67
Temperature range, max.			757.23
η	0.0004080	Pa×s	513.67	Calculated Property
η	0.0003077	Pa×s	540.73	Calculated Property
η	0.0002383	Pa×s	567.79	Calculated Property
η	0.0001889	Pa×s	594.86	Calculated Property
η	0.0001528	Pa×s	621.92	Calculated Property
η	0.0001259	Pa×s	648.98	Calculated Property
η	0.0001053	Pa×s	676.04	Calculated Property
η	0.0000893	Pa×s	703.10	Calculated Property
η	0.0000766	Pa×s	730.17	Calculated Property
η	0.0000665	Pa×s	757.23	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Trichloro-5-(hexadecyloxy)benzene.

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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