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

InChI

InChI=1S/C17H25Cl3O/c1-2-3-4-5-6-7-8-9-10-11-21-17-13-15(19)14(18)12-16(17)20/h12-13H,2-11H2,1H3

InChI Key

PTIIUMSQCMCGLT-UHFFFAOYSA-N

Formula

C17H25Cl3O

SMILES

CCCCCCCCCCCOc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

351.74

• 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	[372.13; 812.04]	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			6.06000e+01
Coefficient B			1.31862e+00
Coefficient C			-6.81280e-04
Coefficient D			1.14100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.13	J/mol×K	273.00	Calculated Property
Cp,gas	446.88	J/mol×K	353.78	Calculated Property
Cp,gas	514.32	J/mol×K	434.56	Calculated Property
Cp,gas	574.82	J/mol×K	515.33	Calculated Property
Cp,gas	628.72	J/mol×K	596.11	Calculated Property
Cp,gas	676.40	J/mol×K	676.89	Calculated Property
Cp,gas	718.21	J/mol×K	757.67	Calculated Property
Cp,gas	754.51	J/mol×K	838.44	Calculated Property
Cp,gas	785.67	J/mol×K	919.22	Calculated Property
Cp,gas	812.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006586; 0.0001183]	Pa×s	[457.32; 676.04]	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			-1.26321e+01
Coefficient B			2.42685e+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.			457.32
Temperature range, max.			676.04
η	0.0006586	Pa×s	457.32	Calculated Property
η	0.0005039	Pa×s	481.62	Calculated Property
η	0.0003956	Pa×s	505.92	Calculated Property
η	0.0003175	Pa×s	530.23	Calculated Property
η	0.0002598	Pa×s	554.53	Calculated Property
η	0.0002162	Pa×s	578.83	Calculated Property
η	0.0001826	Pa×s	603.13	Calculated Property
η	0.0001562	Pa×s	627.43	Calculated Property
η	0.0001352	Pa×s	651.74	Calculated Property
η	0.0001183	Pa×s	676.04	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Trichloro-5-(undecyloxy)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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