Chemical Properties of 1,2,4-Trichloro-5-(decyloxy)benzene (CAS 116401-38-8)

InChI

InChI=1S/C16H23Cl3O/c1-2-3-4-5-6-7-8-9-10-20-16-12-14(18)13(17)11-15(16)19/h11-12H,2-10H2,1H3

InChI Key

FBFDILWRMGPTJU-UHFFFAOYSA-N

Formula

C16H23Cl3O

SMILES

CCCCCCCCCCOc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

337.71

CAS

116401-38-8

• 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	[350.92; 760.45]	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			6.15090e+01
Coefficient B			1.22362e+00
Coefficient C			-6.26880e-04
Coefficient D			1.02200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.92	J/mol×K	273.00	Calculated Property
Cp,gas	420.46	J/mol×K	353.78	Calculated Property
Cp,gas	483.25	J/mol×K	434.56	Calculated Property
Cp,gas	539.59	J/mol×K	515.33	Calculated Property
Cp,gas	589.81	J/mol×K	596.11	Calculated Property
Cp,gas	634.24	J/mol×K	676.89	Calculated Property
Cp,gas	673.19	J/mol×K	757.67	Calculated Property
Cp,gas	707.00	J/mol×K	838.44	Calculated Property
Cp,gas	735.97	J/mol×K	919.22	Calculated Property
Cp,gas	760.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007144; 0.0001304]	Pa×s	[446.05; 661.08]	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			-1.24738e+01
Coefficient B			2.33269e+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.			446.05
Temperature range, max.			661.08
η	0.0007144	Pa×s	446.05	Calculated Property
η	0.0005476	Pa×s	469.94	Calculated Property
η	0.0004307	Pa×s	493.84	Calculated Property
η	0.0003463	Pa×s	517.73	Calculated Property
η	0.0002839	Pa×s	541.62	Calculated Property
η	0.0002367	Pa×s	565.51	Calculated Property
η	0.0002002	Pa×s	589.41	Calculated Property
η	0.0001716	Pa×s	613.30	Calculated Property
η	0.0001488	Pa×s	637.19	Calculated Property
η	0.0001304	Pa×s	661.08	Calculated Property

Similar Compounds

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