Chemical Properties of 1,2,4-Trichloro-5-(hexyloxy)benzene (CAS 116401-41-3)

InChI

InChI=1S/C12H15Cl3O/c1-2-3-4-5-6-16-12-8-10(14)9(13)7-11(12)15/h7-8H,2-6H2,1H3

InChI Key

RNMASCKNFIDJQX-UHFFFAOYSA-N

Formula

C12H15Cl3O

SMILES

CCCCCCOc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

281.61

CAS

116401-41-3

• 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	[266.06; 554.09]	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			6.51450e+01
Coefficient B			8.43620e-01
Coefficient C			-4.09280e-04
Coefficient D			5.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.06	J/mol×K	273.00	Calculated Property
Cp,gas	314.79	J/mol×K	353.78	Calculated Property
Cp,gas	358.94	J/mol×K	434.56	Calculated Property
Cp,gas	398.67	J/mol×K	515.33	Calculated Property
Cp,gas	434.17	J/mol×K	596.11	Calculated Property
Cp,gas	465.59	J/mol×K	676.89	Calculated Property
Cp,gas	493.12	J/mol×K	757.67	Calculated Property
Cp,gas	516.94	J/mol×K	838.44	Calculated Property
Cp,gas	537.20	J/mol×K	919.22	Calculated Property
Cp,gas	554.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009292; 0.0001798]	Pa×s	[400.97; 604.46]	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			-1.18595e+01
Coefficient B			1.95605e+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.			400.97
Temperature range, max.			604.46
η	0.0009292	Pa×s	400.97	Calculated Property
η	0.0007162	Pa×s	423.58	Calculated Property
η	0.0005668	Pa×s	446.19	Calculated Property
η	0.0004587	Pa×s	468.80	Calculated Property
η	0.0003786	Pa×s	491.41	Calculated Property
η	0.0003178	Pa×s	514.02	Calculated Property
η	0.0002707	Pa×s	536.63	Calculated Property
η	0.0002336	Pa×s	559.24	Calculated Property
η	0.0002039	Pa×s	581.85	Calculated Property
η	0.0001798	Pa×s	604.46	Calculated Property

Similar Compounds

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