Chemical Properties of 1,2,4-Trichloro-5-(hexadecyloxy)benzene (CAS 102701-87-1)

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

421.87

CAS

102701-87-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1014.05; 1100.46]	J/mol×K	[879.09; 1081.51]
Cp,gas	1014.05	J/mol×K	879.09	Joback Calculated Property
Cp,gas	1031.04	J/mol×K	912.83	Joback Calculated Property
Cp,gas	1046.94	J/mol×K	946.56	Joback Calculated Property
Cp,gas	1061.79	J/mol×K	980.30	Joback Calculated Property
Cp,gas	1075.63	J/mol×K	1014.04	Joback Calculated Property
Cp,gas	1088.51	J/mol×K	1047.77	Joback Calculated Property
Cp,gas	1100.46	J/mol×K	1081.51	Joback Calculated Property
η	[0.0000391; 0.0004080]	Pa×s	[513.67; 879.09]
η	0.0004080	Pa×s	513.67	Joback Calculated Property
η	0.0002244	Pa×s	574.57	Joback Calculated Property
η	0.0001384	Pa×s	635.48	Joback Calculated Property
η	0.0000929	Pa×s	696.38	Joback Calculated Property
η	0.0000665	Pa×s	757.28	Joback Calculated Property
η	0.0000500	Pa×s	818.19	Joback Calculated Property
η	0.0000391	Pa×s	879.09	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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